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
|
|---|---|---|---|---|---|---|
CHEMBL263076 | null | MOL | Small molecule | null | null | O=c1oc2c(O)c(O)ccc2c2cc(F)ccc12 |
CHEMBL6335 | null | MOL | Small molecule | null | null | O=c1oc2c(Cl)c(Cl)ccc2c2cc(O)c(O)cc12 |
CHEMBL6336 | null | MOL | Small molecule | null | null | Cc1cc(O)c(O)c2oc(=O)c3ccc(F)cc3c12 |
CHEMBL6353 | null | MOL | Small molecule | null | null | ONC1c2cc(O)c(O)cc2-c2cc(O)c(O)cc21 |
CHEMBL6345 | null | MOL | Small molecule | null | null | O=C1c2cc(O)c(O)cc2-c2cc(O)c(O)cc21 |
CHEMBL268770 | null | MOL | Small molecule | null | null | O=c1oc2c(F)c(F)ccc2c2cc(O)c(O)cc12 |
CHEMBL6349 | null | MOL | Small molecule | null | null | O=c1oc2cc(O)c(O)cc2c2cc(F)ccc12 |
CHEMBL413593 | null | MOL | Small molecule | null | null | C[C@]12CCC3C(CC=C4C[C@@H](O)[C@H]5COC[C@]43C5)C1CC[C@@H]2OC1CC1 |
CHEMBL267358 | null | MOL | Small molecule | null | null | C[C@]12CCC(=O)C=C1C(=O)CC1C2CC[C@@]2(C)C1CC[C@@H]2OC1CC1 |
CHEMBL6338 | null | MOL | Small molecule | null | null | O=c1oc2c(O)c(O)ccc2c2cc(O)c(O)cc12 |
CHEMBL269134 | null | MOL | Small molecule | null | null | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NCC(C)(C)C)C2)cc(OC)c1OC |
CHEMBL6359 | null | MOL | Small molecule | null | null | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NC(C)(C)C)C2)cc(OC)c1OC |
CHEMBL6211 | null | MOL | Small molecule | null | null | CCCCCCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 |
CHEMBL266184 | null | MOL | Small molecule | null | null | CCCCCCCCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 |
CHEMBL6217 | null | MOL | Small molecule | null | null | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(C)=O)C2)cc(OC)c1OC |
CHEMBL24879 | null | MOL | Small molecule | null | null | CCCCCCCCNC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 |
CHEMBL227457 | null | MOL | Small molecule | null | null | CCCCCCCCCCCCCCCCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 |
CHEMBL6201 | null | MOL | Small molecule | null | null | Cn1c(CC(=O)O)cc(CO)c1C(=O)c1ccc(Cl)cc1 |
CHEMBL265773 | null | MOL | Small molecule | null | null | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)COc3ccc(Cl)cc3)C2)cc(OC)c1OC |
CHEMBL414696 | null | MOL | Small molecule | null | null | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)COc3ccc(F)cc3)C2)cc(OC)c1OC |
CHEMBL267913 | null | MOL | Small molecule | null | null | C[C@]12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2OC1CC1 |
CHEMBL6245 | null | MOL | Small molecule | null | null | CC1(C)C2=CCC3C(CC[C@@]4(C)C3CC[C@@H]4OC3CC3)[C@@]2(C)CC[C@@H]1O |
CHEMBL4 | 4 | MOL | Small molecule | 1,990 | 1,984 | CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 |
CHEMBL5 | 4 | MOL | Small molecule | 1,964 | 1,962 | CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21 |
CHEMBL6246 | 2 | MOL | Small molecule | null | null | O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23 |
CHEMBL6247 | null | MOL | Small molecule | null | null | Cc1cc(O)c(O)c2oc(=O)c3cc(O)c(O)cc3c12 |
CHEMBL268597 | null | MOL | Small molecule | null | null | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)C3CCCCC3)C2)cc(OC)c1OC |
CHEMBL6270 | null | MOL | Small molecule | null | null | CCC(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 |
CHEMBL6311 | null | MOL | Small molecule | null | null | CC(=O)/C=C/CC1C(=O)N2[C@@H](C(=O)O)C(C)(C)S(=O)(=O)[C@@H]12 |
CHEMBL6312 | null | MOL | Small molecule | null | null | C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(CNCC)C3)c(F)c21 |
CHEMBL204021 | 3 | MOL | Small molecule | null | 2,005 | CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2 |
CHEMBL383864 | null | MOL | Small molecule | null | null | COCCc1ccc(OCC(O)CN(CC(O)COc2ccc(CCOC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(CCOC)cc2)CC(O)COc2ccc(CCOC)cc2)cc1 |
CHEMBL266222 | null | MOL | Small molecule | null | null | CC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)[C@@H](C)CC)C(=O)C(=O)N[C@@H](CCCCN)C(=O)O |
CHEMBL6263 | null | MOL | Small molecule | null | null | CCCCCN(CCCCC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 |
CHEMBL6319 | null | MOL | Small molecule | null | null | CCCCN(CCCC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 |
CHEMBL6341 | null | MOL | Small molecule | null | null | CCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 |
CHEMBL269131 | null | MOL | Small molecule | null | null | CCCN(CCC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 |
CHEMBL6322 | null | MOL | Small molecule | null | null | CCN(CC)C(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 |
CHEMBL267357 | null | MOL | Small molecule | null | null | COc1cc(NC(=O)OCC2CN(C(=O)c3cc(OC)c(OC)c(OC)c3)CCN2C(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |
CHEMBL380444 | null | MOL | Small molecule | null | null | CCC(CC)NC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 |
CHEMBL204022 | null | MOL | Small molecule | null | null | CCC(C)CNC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 |
CHEMBL6350 | null | MOL | Small molecule | null | null | CCCCC(CC)CNC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 |
CHEMBL6202 | null | MOL | Small molecule | null | null | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NCCC(C)C)C2)cc(OC)c1OC |
CHEMBL258053 | null | MOL | Small molecule | null | null | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)NC(C)C(C)C)C2)cc(OC)c1OC |
CHEMBL6203 | null | MOL | Small molecule | null | null | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)c3ccccc3Cl)C2)cc(OC)c1OC |
CHEMBL258253 | null | MOL | Small molecule | null | null | CCCCCC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 |
CHEMBL263777 | null | MOL | Small molecule | null | null | Cc1nccn1CCCCc1ccc(CC(=O)N[C@H](CO)Cc2ccc(OCCC3CCCCC3)c(CCCN)c2)cc1 |
CHEMBL268596 | null | MOL | Small molecule | null | null | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)C(C)(C)C)C2)cc(OC)c1OC |
CHEMBL6 | 4 | MOL | Small molecule | 1,965 | 1,963 | COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1 |
CHEMBL266220 | null | MOL | Small molecule | null | null | O=C(C1CCCCN1)N1CCN(Cc2ccncc2)CC1 |
CHEMBL6233 | null | MOL | Small molecule | null | null | O=C(C1CCCCN1)N1CCN(Cc2ccccn2)CC1 |
CHEMBL6234 | null | MOL | Small molecule | null | null | O=C([C@@H]1CCCN1)N1CCN(Cc2cccnc2)CC1 |
CHEMBL268598 | null | MOL | Small molecule | null | null | O=C([C@@H]1CCCN1)N1CCN(Cc2ccccn2)CC1 |
CHEMBL6232 | null | MOL | Small molecule | null | null | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(COC(=O)CC(C)(C)C)C2)cc(OC)c1OC |
CHEMBL6253 | null | MOL | Small molecule | null | null | C[C@]12CC[C@H](O)CC1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2OC1CC1 |
CHEMBL414006 | null | MOL | Small molecule | null | null | C[C@]12CCC3C(CCC4=CC(=O)[C@H]5COC[C@]43C5)C1CC[C@@H]2OC1CC1 |
CHEMBL414007 | null | MOL | Small molecule | null | null | CCC(CC)C(=O)OCC1CN(Cc2cc(OC)c(OC)c(OC)c2)CCN1Cc1cc(OC)c(OC)c(OC)c1 |
CHEMBL267229 | null | MOL | Small molecule | null | null | COc1cc(N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC |
CHEMBL6244 | null | MOL | Small molecule | null | null | COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC |
CHEMBL6227 | null | MOL | Small molecule | null | null | Cc1nccn1CCCCc1ccc(CC(=O)N[C@H](CO)Cc2ccc(OCCC3CCCCC3)c(CCCCN)c2)cc1 |
CHEMBL6242 | null | MOL | Small molecule | null | null | Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)Cc2ccc(OCCC3CCCCC3)c(CCCN)c2)cc1 |
CHEMBL269340 | null | MOL | Small molecule | null | null | CCCCNC(=O)OCC1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 |
CHEMBL6251 | null | MOL | Small molecule | null | null | N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O |
CHEMBL440577 | null | MOL | Small molecule | null | null | COC(=O)[C@@H](N)CO |
CHEMBL263074 | null | MOL | Small molecule | null | null | Cl.N[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O |
CHEMBL6267 | null | MOL | Small molecule | null | null | COC(=O)[C@@H](N)COC(=O)Nc1ccc([N+](=O)[O-])cc1.Cl |
CHEMBL6285 | null | MOL | Small molecule | null | null | COC(=O)[C@@H](N)CCC(=O)Nc1ccc([N+](=O)[O-])cc1.Cl |
CHEMBL267627 | null | MOL | Small molecule | null | null | CON(C)C(=O)/C=C/CC1C(=O)N2[C@@H]1[S+]([O-])C(C)(C)[C@@H]2C(=O)O |
CHEMBL6286 | null | MOL | Small molecule | null | null | CC1(C)[C@H](C(=O)O)N2C(=O)C(C/C=C/C=O)[C@H]2S1(=O)=O |
CHEMBL403 | 4 | MOL | Small molecule | null | null | CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O |
CHEMBL6289 | null | MOL | Small molecule | null | null | CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(OC)c3c2F)C1 |
CHEMBL6282 | null | MOL | Small molecule | null | null | CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4C)c3c2F)C1 |
CHEMBL448105 | null | BOTH | Protein | null | null | CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |
CHEMBL6269 | null | MOL | Small molecule | null | null | Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC2CCCCC2)cc1 |
CHEMBL6300 | null | MOL | Small molecule | null | null | COC(=O)[C@@H](N)CNC(=O)Nc1ccc([N+](=O)[O-])cc1.Cl |
CHEMBL6301 | null | MOL | Small molecule | null | null | CC(=O)/C=C/CC1C(=O)N2[C@@H](C(=O)O)C(C)(C)S(=O)(=O)[C@H]12 |
CHEMBL6309 | 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 |
CHEMBL265664 | null | MOL | Small molecule | null | null | CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C(C)C)c3c2F)C1 |
CHEMBL6265 | null | MOL | Small molecule | null | null | CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CCCC4)c3c2F)C1 |
CHEMBL268887 | null | MOL | Small molecule | null | null | CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4)c3c2F)C1 |
CHEMBL6259 | -1 | MOL | Small molecule | 1,998 | 1,986 | CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1 |
CHEMBL404 | 4 | MOL | Small molecule | 1,993 | 1,989 | C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O |
CHEMBL6261 | null | MOL | Small molecule | null | null | CC1(C)[C@H](C(=O)O)N2C(=O)[C@@H](Cc3cn(CC4CCCN4)nn3)[C@H]2S1(=O)=O |
CHEMBL6281 | null | MOL | Small molecule | null | null | CC1(C)[C@H](C(=O)O)N2C(=O)[C@@H](Cc3cn(-c4ccc(O)cc4)nn3)[C@H]2S1(=O)=O |
CHEMBL6273 | 2 | MOL | Small molecule | null | 1,987 | CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1 |
CHEMBL6287 | null | MOL | Small molecule | null | null | CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C)c3c2F)C1 |
CHEMBL267628 | null | MOL | Small molecule | null | null | CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CCCCC4)c3c2F)C1 |
CHEMBL6291 | null | MOL | Small molecule | null | null | Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
CHEMBL6292 | null | MOL | Small molecule | null | null | CC1(C)[C@H](C(=O)O)N2C(=O)[C@@H](Cc3cn(-c4ccc(F)cc4)nn3)[C@H]2S1(=O)=O |
CHEMBL267863 | null | MOL | Small molecule | null | null | CC1(C)[C@H](C(=O)O)N2C(=O)[C@@H](Cc3cn(-c4ccc(N)cc4)nn3)[C@H]2S1(=O)=O |
CHEMBL263882 | null | MOL | Small molecule | null | null | CC1(C)[C@H](C(=O)O)N2C(=O)[C@@H](Cc3cn(CC(N)Cc4ccc(O)cc4)nn3)[C@H]2S1(=O)=O |
CHEMBL6331 | null | MOL | Small molecule | null | null | Cn1cc(C2=C(c3cn(CCC[N+](C)(C)C)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
CHEMBL6332 | null | MOL | Small molecule | null | null | Cn1cc(C2=C(c3cn(CCCCC(=N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
CHEMBL268769 | null | MOL | Small molecule | null | null | CN(C)CCCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
CHEMBL269264 | null | MOL | Small molecule | null | null | Cn1cc(C2=C(c3cn(CCCN)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
CHEMBL6209 | 2 | MOL | Small molecule | null | null | CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CC)c3c2F)C1 |
CHEMBL6210 | null | MOL | Small molecule | null | null | CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 |
CHEMBL267386 | null | MOL | Small molecule | null | null | Cn1cc(C2=C(c3cn(CCCN=C(N)N)c4ccccc34)C(=O)NC2=O)c2ccccc21 |
CHEMBL6220 | null | MOL | Small molecule | null | null | CC1(C)[C@H](C(=O)O)N2C(=O)[C@@H](Cc3cn(-c4ccccc4)nn3)[C@H]2S1(=O)=O |
CHEMBL267626 | null | MOL | Small molecule | null | null | CC1(C)[C@H](C(=O)O)N2C(=O)C(C/C=C/C#N)[C@@H]2S1(=O)=O |