GDC-0425

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Investigational

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H19N5O
Molecular Weight	321.3764
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GDC-0425

Structure Search

SMILES

CCN1CCC(CC1)OC2=C3C(NC4=C3C=CC=N4)=CN=C2C#N

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	321.3764
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 01:56:44 UTC 2023` Edited by `admin` on `Sat Dec 16 01:56:44 UTC 2023`
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 Dec 16 01:56:44 UTC 2023 , Edited by admin on Sat Dec 16 01:56:44 UTC 2023

PRIMARY

PUBCHEM

58266779

Created by admin on Sat Dec 16 01:56:44 UTC 2023 , Edited by admin on Sat Dec 16 01:56:44 UTC 2023

PRIMARY

SMS_ID

100000176622

Created by admin on Sat Dec 16 01:56:44 UTC 2023 , Edited by admin on Sat Dec 16 01:56:44 UTC 2023

PRIMARY

DRUG BANK

DB14791

Created by admin on Sat Dec 16 01:56:44 UTC 2023 , Edited by admin on Sat Dec 16 01:56:44 UTC 2023

PRIMARY

CAS

1627539-18-7

Created by admin on Sat Dec 16 01:56:44 UTC 2023 , Edited by admin on Sat Dec 16 01:56:44 UTC 2023

PRIMARY

ChEMBL

CHEMBL3545007

Created by admin on Sat Dec 16 01:56:44 UTC 2023 , Edited by admin on Sat Dec 16 01:56:44 UTC 2023

PRIMARY

NCI_THESAURUS

C116756

Created by admin on Sat Dec 16 01:56:44 UTC 2023 , Edited by admin on Sat Dec 16 01:56:44 UTC 2023

PRIMARY

Related Record Type Details


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					1R5SAY853D

SERINE/THREONINE-PROTEIN KINASE CHK1

TARGET -> INHIBITOR

Comments:

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.


					VK4SQL11C0

CYTOCHROME P450 1A2

METABOLIC ENZYME -> SUBSTRATE

Related Record Type Details


					EF2V7MYF2Y

5-((1-ETHYLPIPERIDIN-4-YL)OXY)-9H-PYRROLO(2,3-B:5,4-C')DIPYRIDIN-6-OL

METABOLITE -> PARENT

Comments:

IN VITRO

Related Record Type Details


					4N173XZ7SX

GDC-0425

ACTIVE MOIETY