U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C12H10FN3O2S
Molecular Weight 279.29
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TPCA-1

SMILES

NC(=O)NC1=C(C=C(S1)C2=CC=C(F)C=C2)C(N)=O

InChI

InChIKey=SAYGKHKXGCPTLX-UHFFFAOYSA-N
InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)

HIDE SMILES / InChI

Molecular Formula C12H10FN3O2S
Molecular Weight 279.29
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
18.0 nM [IC50]
Substance Class Chemical
Created
by admin
on Tue Apr 01 19:51:33 GMT 2025
Edited
by admin
on Tue Apr 01 19:51:33 GMT 2025
Record UNII
9M632G86CC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IKK 2 INHIBITOR IV
Preferred Name English
TPCA-1
Common Name English
2-((AMINOCARBONYL)AMINO)-5-(4-FLUOROPHENYL)-3-THIOPHENECARBOXAMIDE
Systematic Name English
TPCA1
Common Name English
IKK-2 INHIBITOR IV
Common Name English
3-THIOPHENECARBOXAMIDE, 2-((AMINOCARBONYL)AMINO)-5-(4-FLUOROPHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
9M632G86CC
Created by admin on Tue Apr 01 19:51:33 GMT 2025 , Edited by admin on Tue Apr 01 19:51:33 GMT 2025
PRIMARY
PUBCHEM
9903786
Created by admin on Tue Apr 01 19:51:33 GMT 2025 , Edited by admin on Tue Apr 01 19:51:33 GMT 2025
PRIMARY
CAS
507475-17-4
Created by admin on Tue Apr 01 19:51:33 GMT 2025 , Edited by admin on Tue Apr 01 19:51:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID50432635
Created by admin on Tue Apr 01 19:51:33 GMT 2025 , Edited by admin on Tue Apr 01 19:51:33 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
TARGET -> INHIBITOR