 |
| Ligand Name: TAS-120 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1403 |
PubChem:
71621331
|
Synonym(s):
- futibatinib
- 1448169-71-8
- tas120
- fgfr-in-1
- unii-4b93mge4al
- 4b93mge4al
- tas 120
- (s)-1-(3-(4-amino-3-((3,5-dimethoxyphenyl)ethynyl)-1h-pyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one
- 1-[(3s)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl]-1-pyrrolidinyl]-2-propen-1-one
- 1-[(3s)-3-[4-amino-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one
- 1-[(3s)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1h-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one
- tz0
- futibatinib [usan]
- futibatinib (jan/usan/inn)
- gtpl9786
- chembl3701238
- schembl15345470
- tas 120 [who-dd]
- bdbm161389
- amy16930
- bcp17213
- ex-a1862
- nsc813488
- who 10879
- zinc207800318
- cs-6031
- db15149
- example 2 [wo2013108809]
- nsc-813488
- bs-15425
- hy-100818
- d11725
- us9108973, 2
- 2-propen-1-one, 1-((3s)-3-(4-amino-3-(2-(3,5-dimethoxyphenyl)ethynyl)-1h-pyrazolo(3,4-d)pyrimidin-1-yl)-1-pyrrolidinyl)-
show 33 synonym(s)
|
| DrugBank: DB15149 |
ChEMBL: CHEMBL3701238 |
| Canonical SMILES: COc1cc(cc(c1)OC)C#Cc(c(c23)c(N)ncn3)nn2[C@H]4CCN(C4)C(=O)C=C |
| Standard InChI: InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m0/s1 |
| Molecular Formula: C22H22N6O3 |
Mol. Weight: 418.17532 |
logP: 1.7849 |
| HBD: 1 | HBA: 8 |
| #Rotatable Bonds: 4 | TPSA: 108.39 |