U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H21F3N8O3S
Molecular Weight 510.493
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEFACTINIB

SMILES

CNC(=O)C1=CC=C(NC2=NC=C(C(NCC3=NC=CN=C3N(C)S(C)(=O)=O)=N2)C(F)(F)F)C=C1

InChI

InChIKey=FWLMVFUGMHIOAA-UHFFFAOYSA-N
InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)

HIDE SMILES / InChI

Approval Year

Name Type Language
DEFACTINIB
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
N-METHYL-4-((4-(((3-METHYL(METHYLSULFONYL)AMINOPYRAZIN-2-YL)METHYL)AMINO)-5-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL)AMINO)BENZAMIDE
Systematic Name English
DEFACTINIB [USAN]
Common Name English
Defactinib [WHO-DD]
Common Name English
PF-04554878
Code English
VS-6063
Code English
defactinib [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C129825
Created by admin on Sat Dec 16 01:27:16 UTC 2023 , Edited by admin on Sat Dec 16 01:27:16 UTC 2023
NCI_THESAURUS C1742
Created by admin on Sat Dec 16 01:27:16 UTC 2023 , Edited by admin on Sat Dec 16 01:27:16 UTC 2023
FDA ORPHAN DRUG 463514
Created by admin on Sat Dec 16 01:27:16 UTC 2023 , Edited by admin on Sat Dec 16 01:27:16 UTC 2023
NCI_THESAURUS C1967
Created by admin on Sat Dec 16 01:27:16 UTC 2023 , Edited by admin on Sat Dec 16 01:27:16 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL3137331
Created by admin on Sat Dec 16 01:27:16 UTC 2023 , Edited by admin on Sat Dec 16 01:27:16 UTC 2023
PRIMARY
CAS
1073154-85-4
Created by admin on Sat Dec 16 01:27:16 UTC 2023 , Edited by admin on Sat Dec 16 01:27:16 UTC 2023
PRIMARY
FDA UNII
53O87HA2QU
Created by admin on Sat Dec 16 01:27:16 UTC 2023 , Edited by admin on Sat Dec 16 01:27:16 UTC 2023
PRIMARY
SMS_ID
100000168455
Created by admin on Sat Dec 16 01:27:16 UTC 2023 , Edited by admin on Sat Dec 16 01:27:16 UTC 2023
PRIMARY
INN
9928
Created by admin on Sat Dec 16 01:27:16 UTC 2023 , Edited by admin on Sat Dec 16 01:27:16 UTC 2023
PRIMARY
PUBCHEM
25117126
Created by admin on Sat Dec 16 01:27:16 UTC 2023 , Edited by admin on Sat Dec 16 01:27:16 UTC 2023
PRIMARY
CAS
1345713-71-4
Created by admin on Sat Dec 16 01:27:16 UTC 2023 , Edited by admin on Sat Dec 16 01:27:16 UTC 2023
NO STRUCTURE GIVEN
EPA CompTox
DTXSID901025937
Created by admin on Sat Dec 16 01:27:16 UTC 2023 , Edited by admin on Sat Dec 16 01:27:16 UTC 2023
PRIMARY
EVMPD
SUB181837
Created by admin on Sat Dec 16 01:27:16 UTC 2023 , Edited by admin on Sat Dec 16 01:27:16 UTC 2023
PRIMARY
DRUG BANK
DB12282
Created by admin on Sat Dec 16 01:27:16 UTC 2023 , Edited by admin on Sat Dec 16 01:27:16 UTC 2023
PRIMARY
USAN
AB-92
Created by admin on Sat Dec 16 01:27:16 UTC 2023 , Edited by admin on Sat Dec 16 01:27:16 UTC 2023
PRIMARY
NCI_THESAURUS
C79809
Created by admin on Sat Dec 16 01:27:16 UTC 2023 , Edited by admin on Sat Dec 16 01:27:16 UTC 2023
PRIMARY