broad_id
string
depmap_id
string
ccle_name
string
screen_id
string
upper_limit
int64
lower_limit
float64
slope
float64
r2
float64
auc
float64
ec50
float64
ic50
float64
name
string
moa
string
target
string
disease.area
string
indication
string
smiles
string
phase
string
passed_str_profiling
bool
row_name
string
BRD-K53972329-001-07-0
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.969147
-0.083389
-0.020743
0.984645
0.069748
null
ruxolitinib
JAK inhibitor
JAK1, JAK2, JAK3, TYK2
hematologic malignancy, hematology
myelofibrosis, polycythemia vera
N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Launched
true
ACH-001318
BRD-K54256913-001-08-7
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.112063
1.209823
0.726084
0.664153
0.256972
0.316944
MK-1775
WEE1 kinase inhibitor
WEE1
null
null
CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1
Phase 2
true
ACH-001318
BRD-K54955827-001-02-2
ACH-001318
PLCPRF5_LIVER
MTS010
1
1.406463
0.460826
0.29419
1
0.030821
null
niraparib
PARP inhibitor
PARP1
oncology
primary peritoneal cancer (PPC)
NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1, NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1
Launched
true
ACH-001318
BRD-K54997624-001-06-0
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.988898
0.133384
-0.016588
0.992448
0.000226
null
alpelisib
PI3K inhibitor
PIK3CA, PIK3CB, PIK3CD, PIK3CG
null
null
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F
Phase 3
true
ACH-001318
BRD-K55187425-236-05-2
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.58252
0.27304
0.171858
0.7959
0.09407
null
rigosertib
cell cycle inhibitor, PLK inhibitor
PLK1
null
null
COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1, COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1, COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1
Phase 3
true
ACH-001318
BRD-K56343971-001-14-8
ACH-001318
PLCPRF5_LIVER
MTS010
1
1.280402
-0.341978
-0.008881
1
0.001483
null
vemurafenib
RAF inhibitor
BRAF, RAF1
oncology
melanoma
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F, CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F, CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F
Launched
true
ACH-001318
BRD-K56981171-001-02-8
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.796045
-0.038937
-0.035629
0.895483
0.281851
null
brigatinib
ALK tyrosine kinase receptor inhibitor, EGFR inhibitor
ALK, EGFR
oncology
non-small cell lung cancer (NSCLC)
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1, COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
Launched
true
ACH-001318
BRD-K57080016-001-15-9
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.951624
-0.136827
-0.090802
0.967084
23.708551
null
selumetinib
MEK inhibitor
MAP2K1
null
null
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO, Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
Phase 3
true
ACH-001318
BRD-K57169635-001-04-5
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.195671
0.144856
0.17699
0.640824
0.364961
null
dacomitinib
EGFR inhibitor
EGFR, ERBB2, ERBB4
null
null
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1
Phase 3
true
ACH-001318
BRD-K58435339-001-03-0
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.075113
0.566331
0.506906
0.468465
0.034137
0.045505
AT13387
HSP antagonist
HSP90AA1
null
null
CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O, CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O
Phase 2
true
ACH-001318
BRD-K58529924-001-01-5
ACH-001318
PLCPRF5_LIVER
MTS010
1
1.335871
-8.328137
0.615358
1
0.020724
null
ONC201
AKT inhibitor, MAP kinase inhibitor
TNFSF10
null
null
Cc1ccccc1CN1C2=NCCN2C2=C(CN(Cc3ccccc3)CC2)C1=O
Phase 2
true
ACH-001318
BRD-K58550667-001-08-7
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.183406
7.277212
0.567247
0.778994
0.045199
0.048128
FK-866
niacinamide phosphoribosyltransferase inhibitor
NAMPT
null
null
O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1
Phase 2
true
ACH-001318
BRD-K59317601-001-05-5
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.352156
1.166374
0.72998
0.559796
0.013376
0.038019
MLN0128
mTOR inhibitor
MTOR, PIK3CA, PIK3CD, PIK3CG
null
null
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc12
Phase 2
true
ACH-001318
BRD-K60866521-001-07-1
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.87462
0.695647
0.095378
0.928591
0.03784
null
idelalisib
PI3K inhibitor
PIK3CA, PIK3CB, PIK3CD, PIK3CG
hematologic malignancy
chronic lymphocytic leukemia (CLL)
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
Launched
true
ACH-001318
BRD-K60997853-001-02-3
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.504973
0.222551
0.234275
0.797231
0.471279
null
PHA-848125
CDK inhibitor, growth factor receptor inhibitor
CDK2, CDK4, CDK7, NTRK1
null
null
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
Phase 2
true
ACH-001318
BRD-K61192372-001-08-9
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.864761
-0.080285
-0.010578
0.906276
2,239.224918
null
capecitabine
DNA synthesis inhibitor, thymidylate synthase inhibitor
TYMS
oncology
breast cancer, colorectal cancer
CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O, CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O, CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O, CCCCCOC(=O)Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O
Launched
true
ACH-001318
BRD-K62008436-001-23-9
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.246266
5.937642
0.617226
0.676548
0.009707
0.010882
paclitaxel
tubulin polymerization inhibitor
BCL2, MAP2, MAP4, MAPT, NR1I2, TLR4, TUBB, TUBB1
oncology
ovarian cancer, breast cancer, non-small cell lung cancer (NSCLC)
CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1, CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1
Launched
true
ACH-001318
BRD-K62196610-001-01-6
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.488068
1.969942
0.57835
0.869832
0.851255
5.669864
AVN-944
inosine monophosphate dehydrogenase inhibitor
IMPDH1, IMPDH2
null
null
CC[C@H](CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1
Phase 2
true
ACH-001318
BRD-K62200014-003-10-5
ACH-001318
PLCPRF5_LIVER
MTS010
1
1.124465
-0.195226
0.09502
1
0.059259
null
anagrelide
phosphodiesterase inhibitor
PDE3A
hematology, hematologic malignancy
thrombocythemia, myeloproliferative neoplasms
Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl, Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl, Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl
Launched
true
ACH-001318
BRD-K62391742-001-09-7
ACH-001318
PLCPRF5_LIVER
MTS010
1
1.021593
-0.663625
-0.143325
1
0.164775
null
venetoclax
BCL inhibitor
BCL2
hematologic malignancy
chronic lymphocytic leukemia (CLL)
CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1, CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1, CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Launched
true
ACH-001318
BRD-K62627508-001-01-5
ACH-001318
PLCPRF5_LIVER
MTS010
1
1.114931
0.08466
-0.033341
1
0.001093
null
idasanutlin
MDM inhibitor
MDM2, TP53
null
null
COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(O)=O
Phase 3
true
ACH-001318
BRD-K63504947-001-14-7
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.907278
-0.01131
-0.019469
0.952428
7.946676
null
semaxanib
VEGFR inhibitor
FGFR1, FLT1, KDR, KIT, PDGFRA, PDGFRB, RET
null
null
Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1, Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1, Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1, Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Phase 3
true
ACH-001318
BRD-K63712959-001-01-8
ACH-001318
PLCPRF5_LIVER
MTS010
1
1.177945
-0.507743
-0.201257
1
0.090345
null
temoporfin
radical formation stimulant
null
oncology
head and neck squamous cell carcinoma (HNSCC)
Oc1cccc(c1)-c1c2CCc(n2)c(-c2cccc(O)c2)c2ccc([nH]2)c(-c2cccc(O)c2)c2ccc(n2)c(-c2cccc(O)c2)c2ccc1[nH]2
Launched
true
ACH-001318
BRD-K64052750-001-22-5
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.528516
4.002668
0.571525
0.895842
1.172013
null
gefitinib
EGFR inhibitor
EGFR
oncology
non-small cell lung cancer (NSCLC)
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1, COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1, COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1, COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Launched
true
ACH-001318
BRD-K64881305-001-03-7
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.46679
3.937217
0.580562
0.538205
0.002234
0.004449
ispinesib
kinesin inhibitor
KIF11
null
null
CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1, CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1, CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Phase 2
true
ACH-001318
BRD-K66175015-001-12-4
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.444544
0.521858
0.239091
0.75856
0.164694
null
afatinib
EGFR inhibitor
EGFR, ERBB2, ERBB4
oncology
non-small cell lung cancer (NSCLC)
CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1, CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1, CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1
Launched
true
ACH-001318
BRD-K67844266-003-01-9
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.364381
2.269545
0.424331
0.893797
1.998384
3.55103
pevonedistat
nedd activating enzyme inhibitor
NAE1, UBA3
null
null
NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1ccc2c(N[C@H]3CCc4ccccc34)ncnc12
Phase 2
true
ACH-001318
BRD-K69001009-001-02-8
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.947699
0.23332
0.020309
0.975564
0.145413
null
golvatinib
VEGFR inhibitor
KDR, MET
null
null
CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc(Oc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(F)cc3)c(F)c2)ccn1
Phase 2
true
ACH-001318
BRD-K69694239-001-02-2
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.238424
4.180904
0.77278
0.703624
0.228988
0.26737
bardoxolone-methyl
nuclear factor erythroid derived, like (NRF2) activator
PPARG, STAT3
null
null
COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Phase 3
true
ACH-001318
BRD-K69776681-001-03-8
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.163087
3.496316
0.806798
0.622022
0.124886
0.139814
volasertib
PLK inhibitor
PLK1
null
null
CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O, CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O
Phase 3
true
ACH-001318
BRD-K70301465-001-05-9
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.816668
4.385042
0.135582
0.903684
0.061059
null
ibrutinib
Bruton's tyrosine kinase (BTK) inhibitor
BLK, BMX, BTK
hematologic malignancy
chronic lymphocytic leukemia (CLL), mantle cell lymphoma (MCL), Waldenstrom's macroglobulinemia (WM)
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C, Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Launched
true
ACH-001318
BRD-K70401845-001-15-7
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.638539
0.158331
0.002754
0.783248
0.005385
null
erlotinib
EGFR inhibitor
EGFR, NR1I2
oncology
non-small cell lung cancer (NSCLC), pancreatic cancer
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC, COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Launched
true
ACH-001318
BRD-K73838513-003-05-5
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.560536
0.225629
0.122646
0.806899
0.255403
null
cinacalcet
calcium channel activator
CASR
endocrinology, nephrology, oncology
hyperparathyroidism, chronic kidney disease (CKD), parathyroid carcinoma, hypercalcemia
C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12
Launched
true
ACH-001318
BRD-K74514084-003-09-2
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.831774
-0.284558
0.025101
0.964344
0.000417
null
pazopanib
KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor
CSF1R, FGF1, FGFR1, FGFR3, FLT1, FLT4, ITK, KDR, KIT, PDGFRA, PDGFRB, SH2B3
oncology
renal cell carcinoma (RCC), soft tissue sarcoma (STS)
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1, CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Launched
true
ACH-001318
BRD-K75009076-001-02-1
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.37186
2.850421
0.416908
0.824649
0.666041
1.073855
SCH-900776
CHK inhibitor
CDK2, CHEK1
null
null
Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)[C@@H]1CCCNC1, Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)[C@@H]1CCCNC1
Phase 2
true
ACH-001318
BRD-K76210423-001-01-6
ACH-001318
PLCPRF5_LIVER
MTS010
1
1.095707
-0.655713
-0.020687
1
0.005129
null
resiquimod
toll-like receptor agonist
TLR7, TLR8
null
null
CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O, CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
Phase 3
true
ACH-001318
BRD-K76239644-001-02-6
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.537482
0.130597
0.124394
0.765749
0.063643
null
BMS-690514
EGFR inhibitor, VEGFR inhibitor
EGFR, ERBB2, FLT3, KDR
null
null
COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1, COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1
Phase 2
true
ACH-001318
BRD-K76674262-001-03-3
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.067307
0.81876
0.779616
0.591611
0.146235
0.174476
homoharringtonine
protein synthesis inhibitor
RPL3
hematologic malignancy
chronic myeloid leukemia (CML)
COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN3CCC[C@]23C=C1OC
Launched
true
ACH-001318
BRD-K76908866-001-07-6
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.657945
2.599195
0.558892
0.841734
0.112177
null
CP-724714
EGFR inhibitor, protein tyrosine kinase inhibitor
ERBB2
null
null
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
Phase 2
true
ACH-001318
BRD-K78431006-001-15-1
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.801265
-0.020105
-0.047515
0.862936
14,365,629,701,232,934
null
crizotinib
ALK tyrosine kinase receptor inhibitor
ALK, MET
oncology
non-small cell lung cancer (NSCLC)
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl, C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl, C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Launched
true
ACH-001318
BRD-K79254416-001-21-8
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.754173
0.812616
0.098039
0.970988
5.888442
null
decitabine
DNA methyltransferase inhibitor
DNMT1, DNMT3A
hematologic malignancy, hematology
myelodysplastic diseases (MDS), anemia, chronic myeloid leukemia (CML)
Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1, Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1, Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1
Launched
true
ACH-001318
BRD-K81016934-001-02-0
ACH-001318
PLCPRF5_LIVER
MTS010
1
1.105607
0.012147
-0.002156
1
0.000525
null
INC-280
c-Met inhibitor
MET
null
null
CNC(=O)c1ccc(cc1F)-c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1
Phase 2
true
ACH-001318
BRD-K81418486-001-44-2
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.05022
4.026756
0.915906
0.849923
2.159018
2.21648
vorinostat
HDAC inhibitor
HDAC1, HDAC10, HDAC11, HDAC2, HDAC3, HDAC5, HDAC6, HDAC8, HDAC9
hematologic malignancy
cutaneous T-cell lymphoma (CTCL)
ONC(=O)CCCCCCC(=O)Nc1ccccc1, ONC(=O)CCCCCCC(=O)Nc1ccccc1, ONC(=O)CCCCCCC(=O)Nc1ccccc1
Launched
true
ACH-001318
BRD-K81473043-001-19-5
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.12225
3.763223
0.737359
0.781729
0.055944
0.060272
tanespimycin
HSP inhibitor
HSP90AA1
null
null
CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O, CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O
Phase 3
true
ACH-001318
BRD-K82135108-001-04-3
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.486777
0.136759
-0.319944
0.78318
0.098679
null
elesclomol
oxidative stress inducer
HSPA1A
null
null
CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1
Phase 3
true
ACH-001318
BRD-K82746043-001-19-3
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.495508
0.352855
0.215941
0.800021
0.337998
null
navitoclax
BCL inhibitor
BCL2, BCL2L1, BCL2L2
null
null
CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1, CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1
Phase 2
true
ACH-001318
BRD-K82818427-001-04-8
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.576268
2.772069
0.354491
0.88153
0.663315
null
batimastat
matrix metalloprotease inhibitor
ADAM28, ADAMTS5, MMP12, MMP16, MMP2, MMP8
null
null
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO, CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
Phase 3
true
ACH-001318
BRD-K83029223-001-01-3
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.151754
1.135113
0.720542
0.472358
0.001474
0.002027
litronesib
kinesin-like spindle protein inhibitor
KIF11
null
null
CCNCCS(=O)(=O)NC[C@]1(SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C)c1ccccc1
Phase 2
true
ACH-001318
BRD-K83988098-001-02-0
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.053744
1.053609
0.443495
0.691099
0.006789
0.007563
alvespimycin
HSP inhibitor
HSP90AA1
null
null
CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O, CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O
Phase 2
true
ACH-001318
BRD-K85402309-043-01-9
ACH-001318
PLCPRF5_LIVER
MTS010
1
1.292502
-0.393578
-0.058785
1
0.007293
null
dovitinib
EGFR inhibitor, FGFR inhibitor, FLT3 inhibitor, PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor
CSF1R, EGFR, FGFR1, FGFR2, FGFR3, FLT1, FLT3, FLT4, INSR, KDR, KIT, PDGFRA, PDGFRB
null
null
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O, CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Phase 3
true
ACH-001318
BRD-K86118762-001-01-8
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.730695
3.372953
0.195268
0.890443
0.192934
null
linsitinib
IGF-1 inhibitor
IGF1R, INSR, INSRR
null
null
C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12, C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12
Phase 3
true
ACH-001318
BRD-K86972824-001-01-4
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.695918
0.22583
-0.013666
0.89607
1.871502
null
oltipraz
nuclear factor erythroid derived, like (NRF2) activator
ANG
null
null
Cc1c(ssc1=S)-c1cnccn1, Cc1c(ssc1=S)-c1cnccn1
Phase 3
true
ACH-001318
BRD-K87737963-001-06-0
ACH-001318
PLCPRF5_LIVER
MTS010
1
1.01456
0.141735
-0.039052
1
0.011922
null
cyt387
null
JAK1, JAK2, JAK3
null
null
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1, O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Phase 3
true
ACH-001318
BRD-K87782578-001-01-4
ACH-001318
PLCPRF5_LIVER
MTS010
1
1.135367
0.15294
-0.099373
1
0.115992
null
AVL-292
Bruton's tyrosine kinase (BTK) inhibitor
BTK, YES1
null
null
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
Phase 2
true
ACH-001318
BRD-K87909389-003-03-4
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.133955
9.218079
0.749516
0.821942
0.452055
0.46761
alvocidib
CDK inhibitor
CDK1, CDK2, CDK4, CDK5, CDK6, CDK7, CDK8, CDK9, EGFR, PYGM
null
null
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl, CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Phase 2
true
ACH-001318
BRD-K88510285-001-17-8
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.175215
0.565799
0.702671
0.628789
0.033965
0.072811
bortezomib
NFkB pathway inhibitor, proteasome inhibitor
PSMA1, PSMA2, PSMA3, PSMA4, PSMA5, PSMA6, PSMA7, PSMA8, PSMB1, PSMB10, PSMB11, PSMB2, PSMB3, PSMB4, PSMB5, PSMB6, PSMB7, PSMB8, PSMB9, PSMD1, PSMD2, RELA
hematologic malignancy
multiple myeloma, mantle cell lymphoma (MCL)
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O, CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O, CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O, CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O, CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
Launched
true
ACH-001318
BRD-K89014967-001-04-3
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.172004
-1.698007
0.217591
0.963616
0.000632
null
AS-703026
MEK inhibitor
MAP2K1, MAP2K2
null
null
OC[C@@H](O)CNC(=O)c1ccncc1Nc1ccc(I)cc1F
Phase 2
true
ACH-001318
BRD-K92441787-001-04-1
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.745337
-0.230439
-0.016632
0.86528
0.136126
null
bexarotene
retinoid receptor agonist
RXRA, RXRB, RXRG
hematologic malignancy
cutaneous T-cell lymphoma (CTCL)
Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Launched
true
ACH-001318
BRD-K92723993-001-17-4
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.785412
0.338677
0.00808
0.910309
0.255782
null
imatinib
Bcr-Abl kinase inhibitor, KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor
ABL1, CSF1R, DDR1, KIT, NTRK1, PDGFRA, PDGFRB, RET
hematologic malignancy, oncology
chronic myeloid leukemia (CML), acute lymphoblastic leukemia (ALL), myelodysplastic diseases (MDS), aggressive systemic mastocytosis (ASM), hypereosinophilic syndrome (HES), chronic eosinophilic leukemia (CEL), dermatofibrosarcoma protuberans (DFSP), gastrointestinal stromal tumors (GIST)
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1, CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1, CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Launched
true
ACH-001318
BRD-K95142244-001-01-5
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.930697
-0.696
-0.089081
0.965382
0.077712
null
talazoparib
PARP inhibitor
PARP2
null
null
Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1
Phase 3
true
ACH-001318
BRD-K96123349-236-02-8
ACH-001318
PLCPRF5_LIVER
MTS010
1
1.190457
0.110718
-0.004785
1
0.027325
null
brequinar
dihydroorotate dehydrogenase inhibitor
DHODH
null
null
Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F
Phase 2
true
ACH-001318
BRD-K98572433-001-02-9
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.884883
4.478062
0.213548
0.91769
0.009693
null
AZD8931
EGFR inhibitor
EGFR, ERBB2, ERBB3
null
null
CNC(=O)CN1CCC(CC1)Oc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
Phase 2
true
ACH-001318
BRD-K99113996-001-02-0
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.417734
1.014838
0.67069
0.725063
0.102716
0.608041
AZD2014
mTOR inhibitor
MTOR
null
null
CNC(=O)c1cccc(c1)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C
Phase 2
true
ACH-001318
BRD-K99616396-001-05-1
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.661917
0.200289
0.038528
0.795886
0.008128
null
motesanib
KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor
FLT1, FLT4, KDR, KIT
null
null
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12, CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12, CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12, CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12, CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
Phase 3
true
ACH-001318
BRD-K99749624-001-07-0
ACH-001318
PLCPRF5_LIVER
MTS010
1
0.82234
-0.164478
-0.059048
0.898876
0.464138
null
linifanib
PDGFR tyrosine kinase receptor inhibitor, VEGFR inhibitor
CSF1, CSF1R, FLT1, FLT3, FLT4, KDR, KIT, PDGFRB, RET, TEK
null
null
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Phase 3
true
ACH-001318
BRD-M97302542-001-04-4
ACH-001318
PLCPRF5_LIVER
MTS010
1
1.124633
0.241014
-0.048317
1
0.002991
null
dichloroacetate
pyruvate dehydrogenase kinase inhibitor
PDK1
null
null
[Na].OC(=O)C(Cl)Cl, [Na].OC(=O)C(Cl)Cl
Phase 3
true
ACH-001318
BRD-A25234499-001-19-1
ACH-001321
TT_THYROID
MTS010
1
0.80084
4.333012
0.280078
0.90582
0.101609
null
aminoglutethimide
glucocorticoid receptor antagonist
CYP11A1, CYP19A1
endocrinology, oncology
Cushing's syndrome, breast cancer
CCC1(CCC(=O)NC1=O)c1ccc(N)cc1, CCC1(CCC(=O)NC1=O)c1ccc(N)cc1, CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
Launched
true
ACH-001321
BRD-A70858459-001-01-7
ACH-001321
TT_THYROID
MTS010
1
0.768624
-5.713003
0.166676
0.883909
0.079433
null
estramustine
DNA alkylating agent
ESR1, ESR2, MAP1A, MAP2
oncology
prostate cancer
C[C@]12CCC3C(CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)C1CC[C@@H]2O
Launched
true
ACH-001321
BRD-A74914197-001-02-9
ACH-001321
TT_THYROID
MTS010
1
3.085992
0.513684
0.181069
1
0.24501
null
pralatrexate
dihydrofolate reductase inhibitor
DHFR, TYMS
hematologic malignancy
peripheral T-cell lymphoma (PTCL)
Nc1nc(N)c2nc(CC(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1
Launched
true
ACH-001321
BRD-K02113016-001-19-6
ACH-001321
TT_THYROID
MTS010
1
0.992868
-0.078448
-0.038199
0.996433
0.078974
null
olaparib
PARP inhibitor
PARP1, PARP2
oncology
ovarian cancer
Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1, Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1
Launched
true
ACH-001321
BRD-K02130563-001-11-4
ACH-001321
TT_THYROID
MTS010
1
0.155405
0.489118
0.841853
0.410905
0.007114
0.015227
panobinostat
HDAC inhibitor
HDAC1, HDAC2, HDAC3, HDAC4, HDAC6, HDAC7, HDAC8, HDAC9
hematologic malignancy
multiple myeloma
Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1, Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1, Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1, Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
Launched
true
ACH-001321
BRD-K03390685-001-01-7
ACH-001321
TT_THYROID
MTS010
1
4.65528
7.903625
0.823589
1
0.627629
null
cobimetinib
MEK inhibitor
null
oncology
melanoma
OC1(CN(C1)C(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)[C@@H]1CCCCN1
Launched
true
ACH-001321
BRD-K03406345-001-21-1
ACH-001321
TT_THYROID
MTS010
1
2.968504
3.224055
0.962461
1
3.461772
null
azacitidine
DNA methyltransferase inhibitor
DNMT1, DNMT3A
hematologic malignancy, hematology
myelodysplastic diseases (MDS), anemia, chronic myelomonocytic leukemia (CMMoL)
Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1, Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1, Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
Launched
true
ACH-001321
BRD-K03449891-001-08-6
ACH-001321
TT_THYROID
MTS010
1
0.818449
-1.985101
0.054831
0.908037
0.041236
null
foretinib
VEGFR inhibitor
FLT1, FLT4, KDR, MET
null
null
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Phase 2
true
ACH-001321
BRD-K03765900-001-01-9
ACH-001321
TT_THYROID
MTS010
1
0.83385
-0.387301
-0.100559
0.924023
0.044386
null
XL-647
EGFR inhibitor, VEGFR inhibitor
EGFR, EPHB4, ERBB2, FLT4, KDR
null
null
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@H]1C[C@H]2CN(C)C[C@H]2C1
Phase 3
true
ACH-001321
BRD-K05804044-001-18-5
ACH-001321
TT_THYROID
MTS010
1
1.432358
1.164802
0.172558
1
2.66488
null
AZ-628
RAF inhibitor
BRAF, RAF1
null
null
Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1, Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1, Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1, Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1Nc1ccc2ncn(C)c(=O)c2c1
Preclinical
true
ACH-001321
BRD-K06814349-304-02-7
ACH-001321
TT_THYROID
MTS010
1
0.863063
-0.102187
-0.071501
0.902809
582.941921
null
fosbretabulin
tubulin polymerization inhibitor, VE-cadherin antagonist
CDH5
null
null
COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OP(O)(O)=O, COc1ccc(cc1OP(O)(O)=O)\C=C/c1cc(OC)c(OC)c(OC)c1, COc1ccc(cc1OP(O)(O)=O)\C=C/c1cc(OC)c(OC)c(OC)c1, COc1ccc(C=Cc2cc(OC)c(OC)c(OC)c2)cc1OP(O)(O)=O
Phase 3
true
ACH-001321
BRD-K08109215-001-06-4
ACH-001321
TT_THYROID
MTS010
1
0.648922
3.253831
0.74558
0.795408
0.034985
null
I-BET-762
bromodomain inhibitor
BRD2, BRD3, BRD4
null
null
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Phase 2
true
ACH-001321
BRD-K08542803-001-02-3
ACH-001321
TT_THYROID
MTS010
1
0.225141
2.38783
0.750759
0.69809
0.227956
0.292873
gambogic-acid
caspase activator
BCL2
null
null
CC(C)=CCC[C@@]1(C)Oc2c(CC=C(C)C)c3O[C@@]45[C@H]6C[C@@H](C=C4C(=O)c3c(O)c2C=C1)C(=O)[C@]5(C\C=C(\C)C(O)=O)OC6(C)C, CC(C)=CCC[C@@]1(C)Oc2c(CC=C(C)C)c3O[C@@]45[C@H]6C[C@@H](C=C4C(=O)c3c(O)c2C=C1)C(=O)[C@]5(C\C=C(\C)C(O)=O)OC6(C)C, CC(C)=CCC[C@@]1(C)Oc2c(CC=C(C)C)c3O[C@@]45[C@H]6C[C@@H](C=C4C(=O)c3c(O)c2C=C1)C(=O)[C@]5(C\C=C(\C)C(O)=O)OC6(C)C
Phase 2
true
ACH-001321
BRD-K08547377-001-04-4
ACH-001321
TT_THYROID
MTS010
1
0.331416
0.400317
0.173218
0.677113
0.09742
1.472626
irinotecan
topoisomerase inhibitor
TOP1, TOP1MT
oncology
colorectal cancer
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12, CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12
Launched
true
ACH-001321
BRD-K08703257-001-13-9
ACH-001321
TT_THYROID
MTS010
1
0.92127
0.408475
-0.027673
0.956463
0.039548
null
3-amino-benzamide
PARP inhibitor
PARP1
null
null
NC(=O)c1cccc(N)c1, NC(=O)c1cccc(N)c1
Phase 2
true
ACH-001321
BRD-K09951645-001-11-8
ACH-001321
TT_THYROID
MTS010
1
0.668192
1.184956
0.282626
0.718498
0.002259
null
dabrafenib
RAF inhibitor
BRAF, LIMK1, NEK11, RAF1, SIK1
oncology
melanoma
CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F, CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F, CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F
Launched
true
ACH-001321
BRD-K11630072-001-13-2
ACH-001321
TT_THYROID
MTS010
1
0.859239
-2.970701
-0.254053
0.933209
0.060979
null
carmofur
thymidylate synthase inhibitor
TYMS
oncology
breast cancer, colorectal cancer
CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O, CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O, CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
Launched
true
ACH-001321
BRD-K12184916-001-19-6
ACH-001321
TT_THYROID
MTS010
1
3.637481
0.233557
0.112671
1
1.751777
null
NVP-BEZ235
mTOR inhibitor, PI3K inhibitor
ATR, MTOR, PIK3CA, PIK3CD, PIK3CG
null
null
Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1, Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Phase 2
true
ACH-001321
BRD-K12343256-001-14-7
ACH-001321
TT_THYROID
MTS010
1
3.197648
0.707876
0.609291
1
0.10767
null
trametinib
MEK inhibitor
MAP2K1, MAP2K2
oncology
melanoma
CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O, CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O, CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O, CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O
Launched
true
ACH-001321
BRD-K13049116-001-04-0
ACH-001321
TT_THYROID
MTS010
1
0.928195
0.188543
-0.067336
0.96394
0.074318
null
BMS-754807
IGF-1 inhibitor
AKT1, IGF1R
null
null
C[C@]1(CCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1, C[C@]1(CCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1, C[C@]1(CCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1
Phase 2
true
ACH-001321
BRD-K13390322-001-06-3
ACH-001321
TT_THYROID
MTS010
1
1.578234
4.039253
0.273297
1
1.430652
null
AT-7519
CDK inhibitor
CDK1, CDK2, CDK4, CDK5, CDK6, CDK9
null
null
Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1
Phase 2
true
ACH-001321
BRD-K13514097-001-04-6
ACH-001321
TT_THYROID
MTS010
1
3.256663
0.066125
0.119268
1
0.085895
null
everolimus
mTOR inhibitor
MTOR
oncology, neurology/psychiatry, genetics, urology
breast cancer, neuroendocrine tumors of pancreatic origin (PNET), renal cell carcinoma (RCC), subependymal giant cell astrocytoma (SEGA), tuberous sclerosis complex (TSC), renal angiomyolipoma
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OCCO, CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OCCO
Launched
true
ACH-001321
BRD-K13662825-001-07-5
ACH-001321
TT_THYROID
MTS010
1
0.970445
-0.163041
-0.054779
0.974845
1,340.938468
null
dinaciclib
CDK inhibitor
CDK1, CDK2, CDK5, CDK9
null
null
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
Phase 3
true
ACH-001321
BRD-K14109347-001-03-4
ACH-001321
TT_THYROID
MTS010
1
2.183478
2.063946
0.605891
1
0.623457
null
LY2603618
CHK inhibitor
CHEK1
null
null
Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1, Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]2CNCCO2)cn1
Phase 2
true
ACH-001321
BRD-K15179879-001-03-2
ACH-001321
TT_THYROID
MTS010
1
0.379729
2.982659
0.741257
0.458009
0.002058
0.003318
carfilzomib
proteasome inhibitor
PSMA1, PSMA2, PSMA3, PSMA4, PSMA5, PSMA6, PSMA7, PSMA8, PSMB1, PSMB10, PSMB11, PSMB2, PSMB3, PSMB4, PSMB5, PSMB6, PSMB7, PSMB8, PSMB9
hematologic malignancy
multiple myeloma
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Launched
true
ACH-001321
BRD-K15600710-066-05-8
ACH-001321
TT_THYROID
MTS010
1
2.410712
0.039003
-0.088445
1
32,697,026,043,450,080,000
null
obatoclax
BCL inhibitor
BCL2
null
null
COC1=CC(=N\C\1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1, COC1=CC(=N\C\1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1
Phase 3
true
ACH-001321
BRD-K16730910-001-10-7
ACH-001321
TT_THYROID
MTS010
1
0.652809
1.68208
0.089401
0.743112
0.007548
null
regorafenib
FGFR inhibitor, KIT inhibitor, PDGFR tyrosine kinase receptor inhibitor, RAF inhibitor, RET tyrosine kinase inhibitor, VEGFR inhibitor
ABL1, BRAF, DDR2, EPHA2, FGFR1, FGFR2, FLT1, FLT4, FRK, KDR, KIT, MAPK11, NTRK1, PDGFRA, PDGFRB, RAF1, RET, TEK
oncology
colorectal cancer, gastrointestinal stromal tumors (GIST)
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Launched
true
ACH-001321
BRD-K17555800-003-02-3
ACH-001321
TT_THYROID
MTS010
1
-0.592209
-1.857123
0.562964
0.966611
0.000401
0.000611
talmapimod
p38 MAPK inhibitor
MAPK11, MAPK14
null
null
C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C, C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C, C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C
Phase 2
true
ACH-001321
BRD-K17610631-001-03-3
ACH-001321
TT_THYROID
MTS010
1
0.560349
-1.49748
-0.122518
0.961704
0.001103
null
indisulam
CDK inhibitor
CA1, CA12, CA14, CA2, CA6, CA7, CA9
null
null
NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Phase 2
true
ACH-001321
BRD-K17743125-001-08-4
ACH-001321
TT_THYROID
MTS010
1
0.183703
3.813499
0.903888
0.773007
0.672978
0.758857
belinostat
HDAC inhibitor
HDAC1, HDAC10, HDAC11, HDAC2, HDAC3, HDAC4, HDAC5, HDAC6, HDAC7, HDAC8, HDAC9
hematologic malignancy
peripheral T-cell lymphoma (PTCL)
ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1
Launched
true
ACH-001321
BRD-K17894950-001-14-3
ACH-001321
TT_THYROID
MTS010
1
1.076734
-0.273559
-0.024894
1
0.003645
null
indirubin
CDK inhibitor, glycogen synthase kinase inhibitor
CDK1, CDK5, GSK3A
null
null
O=C1Nc2ccccc2\C1=C1\Nc2ccccc2C1=O
Phase 2/Phase 3
true
ACH-001321
BRD-K18961567-001-01-1
ACH-001321
TT_THYROID
MTS010
1
0.918812
-2.457927
-0.221168
0.954514
0.140169
null
LY2801653
MET inhibitor
MET
null
null
Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1
Phase 2
true
ACH-001321
BRD-K19540840-001-09-4
ACH-001321
TT_THYROID
MTS010
1
1.928269
0.882373
0.472578
1
2.088952
null
saracatinib
src inhibitor
ABL1, LCK, SRC, YES1
null
null
CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1
Phase 2/Phase 3
true
ACH-001321
BRD-K19687926-001-04-1
ACH-001321
TT_THYROID
MTS010
1
0.809493
-1.260812
-0.058398
0.978085
0.001491
null
lapatinib
EGFR inhibitor
EGFR, ERBB2
oncology
breast cancer
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1, CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1, CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Launched
true
ACH-001321