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Details

Stereochemistry ACHIRAL
Molecular Formula C18H19N5O
Molecular Weight 321.377
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GDC-0425

SMILES

CCN1CCC(CC1)Oc2c(C#N)ncc3c2c4cccnc4[nH]3

InChI

InChIKey=XEZLBMHDUXSICI-UHFFFAOYSA-N
InChI=1S/C18H19N5O/c1-2-23-8-5-12(6-9-23)24-17-14(10-19)21-11-15-16(17)13-4-3-7-20-18(13)22-15/h3-4,7,11-12H,2,5-6,8-9H2,1H3,(H,20,22)

HIDE SMILES / InChI

Molecular Formula C18H19N5O
Molecular Weight 321.377
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 Jun 26 00:15:56 UTC 2021
Edited
by admin
on Sat Jun 26 00:15:56 UTC 2021
Record UNII
4N173XZ7SX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GDC-0425
Code English
9H-PYRROLO(2,3-B:5,4-C')DIPYRIDINE-6-CARBONITRILE, 5-((1-ETHYL-4-PIPERIDINYL)OXY)-
Systematic Name English
5-((1-ETHYL-4-PIPERIDINYL)OXY)-9H-PYRROLO(2,3-B:5,4-C')DIPYRIDINE-6-CARBONITRILE
Systematic Name English
RG-7602
Code English
Code System Code Type Description
FDA UNII
4N173XZ7SX
Created by admin on Sat Jun 26 00:15:56 UTC 2021 , Edited by admin on Sat Jun 26 00:15:56 UTC 2021
PRIMARY
PUBCHEM
58266779
Created by admin on Sat Jun 26 00:15:56 UTC 2021 , Edited by admin on Sat Jun 26 00:15:56 UTC 2021
PRIMARY
DRUG BANK
DB14791
Created by admin on Sat Jun 26 00:15:56 UTC 2021 , Edited by admin on Sat Jun 26 00:15:56 UTC 2021
PRIMARY
CAS
1627539-18-7
Created by admin on Sat Jun 26 00:15:56 UTC 2021 , Edited by admin on Sat Jun 26 00:15:56 UTC 2021
PRIMARY
ChEMBL
CHEMBL3545007
Created by admin on Sat Jun 26 00:15:56 UTC 2021 , Edited by admin on Sat Jun 26 00:15:56 UTC 2021
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
METABOLIC ENZYME -> SUBSTRATE
BINDER->LIGAND
BINDING
TARGET -> INHIBITOR
Conclusions: It is safe and feasible to administer GDC-0425 with a standard dose of gem. At the doses assessed, bone marrow suppression is common but manageable and exposures exceed those predicted by preclinical models to inhibit Chk1. Clinical activity was observed, including 1 patient with TP53 mutated TNBC.
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
ACTIVE MOIETY