chembl_id
stringlengths 7
13
| max_phase
float64 -1
4
⌀ | structure_type
stringclasses 2
values | molecule_type
stringclasses 5
values | first_approval
float64 1.94k
2.02k
⌀ | usan_year
float64 1.96k
2.02k
⌀ | canonical_smiles
stringlengths 1
2.09k
|
|---|---|---|---|---|---|---|
CHEMBL6221 | null | MOL | Small molecule | null | null | COC(=O)/C=C/CC1C(=O)N2[C@@H](C(=O)O)C(C)(C)S(=O)(=O)[C@@H]12 |
CHEMBL265663 | null | MOL | Small molecule | null | null | CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CC(F)(F)F)c3c2F)C1 |
CHEMBL268292 | null | MOL | Small molecule | null | null | Cn1cc(C2=C(c3cn(CCO)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
CHEMBL6205 | null | MOL | Small molecule | null | null | Cn1cc(C2=C(c3cn(CCCO)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
CHEMBL441172 | null | MOL | Small molecule | null | null | Cn1cc(C2=C(c3cn(CCCCO)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
CHEMBL6199 | null | MOL | Small molecule | null | null | Cn1cc(C2=C(c3cn(CCCCCO)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
CHEMBL429244 | null | MOL | Small molecule | null | null | CNCCCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
CHEMBL6204 | null | MOL | Small molecule | null | null | COc1ccc(-c2c(-c3ccccn3)nc3n2CCC3)cc1 |
CHEMBL6229 | null | MOL | Small molecule | null | null | CCc1cc2c(Sc3nnc(N)s3)ncnc2s1 |
CHEMBL6231 | 2 | MOL | Small molecule | null | 1,984 | CNn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 |
CHEMBL6215 | null | MOL | Small molecule | null | null | CCc1cc2c(O)ncnc2s1 |
CHEMBL6235 | null | MOL | Small molecule | null | null | Cn1cc(C2=C(c3cn(CCCCCN)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
CHEMBL266483 | null | MOL | Small molecule | null | null | Cn1cc(C2=C(c3cn(CCCCN)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
CHEMBL8 | 4 | MOL | Small molecule | 1,987 | 1,987 | O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O |
CHEMBL6224 | null | MOL | Small molecule | null | null | C1=C(c2ccccc2)CCNC1 |
CHEMBL6225 | null | MOL | Small molecule | null | null | CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CC4CC4)c3c2F)C1 |
CHEMBL6256 | null | MOL | Small molecule | null | null | CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(NC)c3c2F)C1 |
CHEMBL267230 | null | MOL | Small molecule | null | null | C[N+]1([O-])CC=C(c2ccccc2)CC1 |
CHEMBL9 | 4 | MOL | Small molecule | 1,986 | 1,984 | CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21 |
CHEMBL268888 | null | MOL | Small molecule | null | null | Cn1cc(C2=C(c3cn(CCCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
CHEMBL415287 | null | MOL | Small molecule | null | null | CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)C1 |
CHEMBL6250 | null | MOL | Small molecule | null | null | O=C(O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1 |
CHEMBL10 | null | MOL | Small molecule | null | null | C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 |
CHEMBL268889 | null | MOL | Small molecule | null | null | c1ccc(-c2nc3n(c2-c2ccc4c(c2)OCO4)CCC3)nc1 |
CHEMBL266706 | null | MOL | Small molecule | null | null | Fc1ccc(-c2c(-c3ccccn3)nc3n2CCS3)cc1 |
CHEMBL6304 | null | MOL | Small molecule | null | null | Fc1ccc(-c2c(-c3ccccn3)nc3n2CCC3)cc1 |
CHEMBL266707 | null | MOL | Small molecule | null | null | Fc1ccc(-c2c(-c3ccncc3)nc3n2CCS3)cc1 |
CHEMBL6294 | null | MOL | Small molecule | null | null | Fc1ccc(-c2c(-c3cccnc3)nc3n2CCC3)cc1 |
CHEMBL6299 | null | MOL | Small molecule | null | null | CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4nccs4)c3c2F)C1 |
CHEMBL263075 | null | MOL | Small molecule | null | null | CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccccc4)c3c2F)C1 |
CHEMBL6262 | null | MOL | Small molecule | null | null | CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2F)C1 |
CHEMBL6276 | null | MOL | Small molecule | null | null | CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4(C)CC4)c3c2F)C1 |
CHEMBL6279 | null | MOL | Small molecule | null | null | Cn1cc(C2=C(c3cn(CCC/N=C(\N)N[N+](=O)[O-])c4ccccc34)C(=O)NC2=O)c2ccccc21 |
CHEMBL269056 | null | MOL | Small molecule | null | null | CCc1cc2c(Cl)ncnc2s1 |
CHEMBL267127 | null | MOL | Small molecule | null | null | CCc1cc2c(Sc3nnc(C)s3)ncnc2s1 |
CHEMBL269495 | null | MOL | Small molecule | null | null | CCc1cc2c(Nc3nnc(C)s3)ncnc2s1 |
CHEMBL267678 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2cncc3sc(C(N)=O)cc23)cc1 |
CHEMBL267914 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2ccnc3sc(C(N)=O)cc23)cc1 |
CHEMBL6248 | null | MOL | Small molecule | null | null | COc1ccc2sc(C(N)=O)c(OC(C)C)c2c1 |
CHEMBL269339 | null | MOL | Small molecule | null | null | O=C(O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccn3)[nH]2)cc1 |
CHEMBL269341 | null | MOL | Small molecule | null | null | N#Cc1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1 |
CHEMBL440084 | null | MOL | Small molecule | null | null | NC(=O)c1ccc(-c2nc(-c3ccccn3)c(-c3ccc4c(c3)OCO4)[nH]2)cc1 |
CHEMBL267228 | null | MOL | Small molecule | null | null | OCc1ccc(-c2nc(-c3ccccn3)c(-c3ccc4c(c3)OCO4)[nH]2)cc1 |
CHEMBL6252 | null | MOL | Small molecule | null | null | O=C(O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 |
CHEMBL268529 | null | MOL | Small molecule | null | null | Cn1cc(C2=C(c3cn(CCN)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
CHEMBL267126 | null | MOL | Small molecule | null | null | Cn1cc(C2=C(c3cn(CCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
CHEMBL6274 | null | MOL | Small molecule | null | null | Cn1cc(C2=C(c3cn(CCCCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
CHEMBL268530 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2cncc3sc(CO)cc23)cc1 |
CHEMBL6275 | null | MOL | Small molecule | null | null | Cc1cc(C)cc(Sc2cncc3sc(C(N)=O)cc23)c1 |
CHEMBL267125 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2cncc3sc(C(N)=O)cc23)cc1C |
CHEMBL269497 | null | MOL | Small molecule | null | null | Cc1cccc(Sc2cncc3sc(C(N)=O)cc23)c1 |
CHEMBL6278 | null | MOL | Small molecule | null | null | Cc1ccccc1Sc1cncc2sc(C(N)=O)cc12 |
CHEMBL267456 | null | MOL | Small molecule | null | null | NC(=O)c1cc2c(Sc3ccccc3)cncc2s1 |
CHEMBL6316 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2cncc3sc(/C=N/OCC(=O)O)cc23)cc1 |
CHEMBL6324 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2cncc3sc(/C=N/OCc4ccccc4)cc23)cc1 |
CHEMBL6249 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2cncc3sc(/C=N/Oc4ccccc4)cc23)cc1 |
CHEMBL6258 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2cncc3sc(/C=N/O)cc23)cc1 |
CHEMBL6257 | null | MOL | Small molecule | null | null | NC(=O)c1cc2c(Cl)cncc2s1 |
CHEMBL262570 | null | MOL | Small molecule | null | null | C/C(=N\O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 |
CHEMBL6264 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2cncc3sc(/C=N/OCC(N)=O)cc23)cc1 |
CHEMBL6636 | null | MOL | Small molecule | null | null | C#CCN(Cc1ccc2nc(C)nc(O)c2c1)c1ccc(C(=O)N[C@@H](C(=O)O)c2cccc([N+](=O)[O-])c2)cc1 |
CHEMBL269598 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2cncc3sc(C(=O)NN)cc23)cc1 |
CHEMBL6369 | null | MOL | Small molecule | null | null | COC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 |
CHEMBL6370 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2cncc3sc(C(=O)O)cc23)cc1 |
CHEMBL6371 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2cncc3sc(C(=O)c4ccccc4)cc23)cc1 |
CHEMBL266708 | null | MOL | Small molecule | null | null | CC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 |
CHEMBL6381 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2cncc3sc(C=O)cc23)cc1 |
CHEMBL266460 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2cncc3sc(C(=O)N=C(N)N)cc23)cc1 |
CHEMBL6762 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2cncc3sc(C(=O)NCCCN4CCOCC4)cc23)cc1 |
CHEMBL266197 | null | MOL | Small molecule | null | null | CCc1cc2c(Sc3ccc(C)cc3)cncc2s1 |
CHEMBL269075 | null | MOL | Small molecule | null | null | CONC(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 |
CHEMBL6517 | null | MOL | Small molecule | null | null | CON(C)C(=O)c1cc2c(Sc3ccc(C)cc3)cncc2s1 |
CHEMBL263080 | null | MOL | Small molecule | null | null | NC(=O)c1cc2c(Sc3ccccn3)cncc2s1 |
CHEMBL6534 | null | MOL | Small molecule | null | null | NC(=O)c1cc2c(Sc3ccc(-c4ccccc4)cc3)cncc2s1 |
CHEMBL263081 | null | MOL | Small molecule | null | null | COc1ccc(Sc2cncc3sc(C(N)=O)cc23)cc1 |
CHEMBL266198 | null | MOL | Small molecule | null | null | NC(=O)c1cc2c(Sc3ccc(Br)cc3)cncc2s1 |
CHEMBL6612 | null | MOL | Small molecule | null | null | NC(=O)c1cc2c(Sc3ccc(Cl)c(Cl)c3)cncc2s1 |
CHEMBL268567 | null | MOL | Small molecule | null | null | NC(=O)c1cc2c(Sc3ccc(Cl)cc3)cncc2s1 |
CHEMBL428508 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2cncc3sc(C(=O)NCC(O)CO)cc23)cc1 |
CHEMBL6417 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2cncc3sc(C(=O)Nc4ccc(Cl)cc4)cc23)cc1 |
CHEMBL266429 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2cncc3sc(C(=N)S)cc23)cc1 |
CHEMBL6490 | null | MOL | Small molecule | null | null | CCC(c1cc(Br)c(O)c(Br)c1)C(CC)c1cc(Br)c(O)c(Br)c1 |
CHEMBL414201 | null | MOL | Small molecule | null | null | CC(=O)OC1CC2(O)C3CCC4CC(OC=O)CCC4(C)C3CCC2(C)[C@H]1C1=CC(=O)OC1 |
CHEMBL269538 | 1 | MOL | Small molecule | null | null | COc1ccc2c(c1)[nH]c1c(C)nccc12 |
CHEMBL6857 | null | MOL | Small molecule | null | null | Brc1cccc2c3c([nH]c12)CNCC3 |
CHEMBL6746 | null | MOL | Small molecule | null | null | Brc1cccc2c3c([nH]c12)C=NCC3 |
CHEMBL6505 | null | MOL | Small molecule | null | null | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)C(CCCCN)CCCCN)C(C)(C)C)C(=O)O |
CHEMBL266571 | null | BOTH | Protein | null | null | CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C |
CHEMBL266572 | null | MOL | Small molecule | null | null | Cc1ccc(Sc2cncc3sccc23)cc1 |
CHEMBL6558 | null | MOL | Small molecule | null | null | CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)[C@H](C4=CC(=O)OC4)C(=O)CC32O)C1 |
CHEMBL6404 | null | MOL | Small molecule | null | null | CCC(c1ccc(O)cc1)C(CC)c1ccc(O)c(F)c1 |
CHEMBL6717 | null | MOL | Small molecule | null | null | COc1ccc2[nH]c3c(c2c1)CCN=C3 |
CHEMBL6532 | null | MOL | Small molecule | null | null | C/N=C(/NC(N)=O)NC1c2cc(C#N)ccc2OC(C)(C)[C@H]1O |
CHEMBL427969 | null | MOL | Small molecule | null | null | COC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)[C@@H](C4=CC(=O)OC4)C(O)CC32O)C1 |
CHEMBL6647 | null | MOL | Small molecule | null | null | CN(C)c1cccc2c(S(=O)(=O)Nc3ncc(Br)nc3O)cccc12 |
CHEMBL6514 | null | MOL | Small molecule | null | null | Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CN(C)CCOc1ccc(/C=C3\SC(=O)NC3=O)cc1)O2 |
CHEMBL266066 | null | MOL | Small molecule | null | null | C#CCN(Cc1cc2c(O)nc(C)nc2cc1C)c1ccc(C(=O)NCc2cncs2)c(F)c1 |
CHEMBL6398 | null | MOL | Small molecule | null | null | CNC(=N)NCCCC(N)P(=O)(O)O |
CHEMBL269002 | null | MOL | Small molecule | null | null | C/N=C(/NC(C)=O)NC1c2cc(C#N)ccc2OC(C)(C)[C@H]1O |
CHEMBL264095 | null | MOL | Small molecule | null | null | C#CCN(Cc1cc2c(O)nc(C)nc2cc1C)c1ccc(C(=O)NCc2cccc(C#N)c2)c(F)c1 |