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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H21N5O2
Molecular Weight 411.4558
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PKC.BETA. INHIBITOR

SMILES

O=C1NC(=O)C(C2=CN(CCCN3C=CN=C3)C4=C2C=CC=C4)=C1NC5=CC=CC=C5

InChI

InChIKey=KIWODJBCHRADND-UHFFFAOYSA-N
InChI=1S/C24H21N5O2/c30-23-21(22(24(31)27-23)26-17-7-2-1-3-8-17)19-15-29(20-10-5-4-9-18(19)20)13-6-12-28-14-11-25-16-28/h1-5,7-11,14-16H,6,12-13H2,(H2,26,27,30,31)

HIDE SMILES / InChI

Molecular Formula C24H21N5O2
Molecular Weight 411.4558
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:10:28 GMT 2023
Edited
by admin
on Sat Dec 16 12:10:28 GMT 2023
Record UNII
E54BTB52GP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PKC.BETA. INHIBITOR
Common Name English
PKC.BETA. INHIBITOR 1
Common Name English
PKCBETA INHIBITOR
Common Name English
K00248
Code English
3-ANILINO-4-(1-(3-IMIDAZOL-1-YLPROPYL)INDOL-3-YL)PYRROLE-2,5-DIONE
Systematic Name English
1H-PYRROLE-2,5-DIONE, 3-(1-(3-(1H-IMIDAZOL-1-YL)PROPYL)-1H-INDOL-3-YL)-4-(PHENYLAMINO)-
Systematic Name English
3-(1-(3-(1H-IMIDAZOL-1-YL)PROPYL)-1H-INDOL-3-YL)-4-(PHENYLAMINO)-1H-PYRROLE-2,5-DIONE
Systematic Name English
Code System Code Type Description
FDA UNII
E54BTB52GP
Created by admin on Sat Dec 16 12:10:28 GMT 2023 , Edited by admin on Sat Dec 16 12:10:28 GMT 2023
PRIMARY
PUBCHEM
6419755
Created by admin on Sat Dec 16 12:10:28 GMT 2023 , Edited by admin on Sat Dec 16 12:10:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID20423555
Created by admin on Sat Dec 16 12:10:28 GMT 2023 , Edited by admin on Sat Dec 16 12:10:28 GMT 2023
PRIMARY
CAS
257879-35-9
Created by admin on Sat Dec 16 12:10:28 GMT 2023 , Edited by admin on Sat Dec 16 12:10:28 GMT 2023
PRIMARY
CHEBI
37700
Created by admin on Sat Dec 16 12:10:28 GMT 2023 , Edited by admin on Sat Dec 16 12:10:28 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR