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Details

Stereochemistry EPIMERIC
Molecular Formula C35H30N4O5
Molecular Weight 586.6378
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CGP-52421

SMILES

C[C@]12[C@@]([H])([C@@]([H])(C[C@]([H])(n3c4ccccc4c5c6c(c7c8ccccc8n1c7c53)C([H])(N=C6O)O)O2)N(C)C(=O)c9ccccc9)OC

InChI

InChIKey=ZZSBPGIGIUFJRA-YMZPHHGTSA-N
InChI=1S/C35H30N4O5/c1-35-31(43-3)23(37(2)34(42)18-11-5-4-6-12-18)17-24(44-35)38-21-15-9-7-13-19(21)25-27-28(33(41)36-32(27)40)26-20-14-8-10-16-22(20)39(35)30(26)29(25)38/h4-16,23-24,31,33,41H,17H2,1-3H3,(H,36,40)/t23-,24-,31-,33?,35+/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H30N4O5
Molecular Weight 586.6378
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 22:21:19 UTC 2021
Edited
by admin
on Fri Jun 25 22:21:19 UTC 2021
Record UNII
D9B1PJ9MWX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CGP-52421
Code English
7-HYDROXY-PKC412
Code English
CGP52421
Code English
BENZAMIDE, N-(2,3,10,11,12,13-HEXAHYDRO-3-HYDROXY-10-METHOXY-9-METHYL-1-OXO-9,13-EPOXY-1H,9H-DIINDOLO(1,2,3-GH:3',2',1'-LM)PYRROLO(3,4-J)(1,7)BENZODIAZONIN-11-YL)-N-METHYL-
Systematic Name English
N-(2,3,10,11,12,13-HEXAHYDRO-3-HYDROXY-10-METHOXY-9-METHYL-1-OXO-9,13-EPOXY-1H,9H-DIINDOLO(1,2,3-GH:3',2',1'-LM)PYRROLO(3,4-J)(1,7)BENZODIAZONIN-11-YL)-N-METHYLBENZAMIDE
Systematic Name English
Code System Code Type Description
CAS
179237-49-1
Created by admin on Fri Jun 25 22:21:19 UTC 2021 , Edited by admin on Fri Jun 25 22:21:19 UTC 2021
PRIMARY
FDA UNII
D9B1PJ9MWX
Created by admin on Fri Jun 25 22:21:19 UTC 2021 , Edited by admin on Fri Jun 25 22:21:19 UTC 2021
PRIMARY
PUBCHEM
137552093
Created by admin on Fri Jun 25 22:21:19 UTC 2021 , Edited by admin on Fri Jun 25 22:21:19 UTC 2021
PRIMARY
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