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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10FN3O2S
Molecular Weight 279.2916
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TPCA-1

SMILES

c1cc(ccc1-c2cc(C(=N)O)c(NC(=N)O)s2)F

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 279.2916
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 Sat Jun 26 03:39:20 UTC 2021
Edited
by admin
on Sat Jun 26 03:39:20 UTC 2021
Record UNII
9M632G86CC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
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 Sat Jun 26 03:39:20 UTC 2021 , Edited by admin on Sat Jun 26 03:39:20 UTC 2021
PRIMARY
PUBCHEM
9903786
Created by admin on Sat Jun 26 03:39:20 UTC 2021 , Edited by admin on Sat Jun 26 03:39:20 UTC 2021
PRIMARY
CAS
507475-17-4
Created by admin on Sat Jun 26 03:39:20 UTC 2021 , Edited by admin on Sat Jun 26 03:39:20 UTC 2021
PRIMARY
EPA CompTox
507475-17-4
Created by admin on Sat Jun 26 03:39:20 UTC 2021 , Edited by admin on Sat Jun 26 03:39:20 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
TARGET -> INHIBITOR