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Details

Stereochemistry ACHIRAL
Molecular Formula C15H12ClF3N2O3S
Molecular Weight 392.781
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GSK-3787

SMILES

FC(F)(F)C1=CC=C(N=C1)S(=O)(=O)CCNC(=O)C2=CC=C(Cl)C=C2

InChI

InChIKey=JFUIMTGOQCQTPF-UHFFFAOYSA-N
InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)

HIDE SMILES / InChI

Molecular Formula C15H12ClF3N2O3S
Molecular Weight 392.781
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
6.7 null [pIC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:33:16 UTC 2023
Edited
by admin
on Sat Dec 16 16:33:16 UTC 2023
Record UNII
DD8MJ95LTV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GSK-3787
Code English
4-CHLORANYL-N-(2-(5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)SULFONYLETHYL)BENZAMIDE
Systematic Name English
GSK3787
Code English
Code System Code Type Description
PUBCHEM
2800647
Created by admin on Sat Dec 16 16:33:16 UTC 2023 , Edited by admin on Sat Dec 16 16:33:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID00384175
Created by admin on Sat Dec 16 16:33:16 UTC 2023 , Edited by admin on Sat Dec 16 16:33:16 UTC 2023
PRIMARY
CAS
188591-46-0
Created by admin on Sat Dec 16 16:33:16 UTC 2023 , Edited by admin on Sat Dec 16 16:33:16 UTC 2023
PRIMARY
FDA UNII
DD8MJ95LTV
Created by admin on Sat Dec 16 16:33:16 UTC 2023 , Edited by admin on Sat Dec 16 16:33:16 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IRREVERSIBLE INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY