PHA-767491

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H11N3O
Molecular Weight	213.2352
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C1NCCC2=C1C=C(N2)C3=CC=NC=C3

InChI

InChIKey=DKXHSOUZPMHNIZ-UHFFFAOYSA-N

InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)

HIDE SMILES / InChI

Molecular Formula	C12H11N3O
Molecular Weight	213.2352
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Potency
Cyclin-dependent kinase 9 24 Target ID: P50750 Gene ID: 1025.0 Gene Symbol: CDK9 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/18469809	Inhibitor 8504	34.0 nM [IC50]
Cell division cycle 7-related protein kinase 5 Target ID: O00311 Gene ID: 8317.0 Gene Symbol: CDC7 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/18469809	Inhibitor 8504	10.0 nM [IC50]
Nuclear factor erythroid 2-related factor 2 15 Target ID: Q16236 Gene ID: 4780.0 Gene Symbol: NFE2L2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/29297149	Inhibitor 8504	2.41 µM [IC50]

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:32:23 GMT 2025` Edited by `admin` on `Mon Mar 31 21:32:23 GMT 2025`
Record UNII	5M2GUN688C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHA-767491

Common Name

English

CAY-10572

Preferred Name

English

4H-PYRROLO(3,2-C)PYRIDIN-4-ONE, 1,5,6,7-TETRAHYDRO-2-(4-PYRIDINYL)-

Systematic Name

English

1,5,6,7-TETRAHYDRO-2-(4-PYRIDINYL)-4H-PYRROLO(3,2-C)PYRIDIN-4-ONE

Systematic Name

English

2-PYRIDIN-4-YL-1,5,6,7-TETRAHYDRO-PYRROLO(3,2-C)PYRIDIN-4-ONE

Common Name

English

2-PYRIDIN-4-YL-1,5,6,7-TETRAHYDROPYRROLO(3,2-C)PYRIDIN-4-ONE

Common Name

English

Code System Code Type Description

FDA UNII

5M2GUN688C

Created by admin on Mon Mar 31 21:32:23 GMT 2025 , Edited by admin on Mon Mar 31 21:32:23 GMT 2025

PRIMARY

EPA CompTox

DTXSID50471069

Created by admin on Mon Mar 31 21:32:23 GMT 2025 , Edited by admin on Mon Mar 31 21:32:23 GMT 2025

PRIMARY

PUBCHEM

11715767

Created by admin on Mon Mar 31 21:32:23 GMT 2025 , Edited by admin on Mon Mar 31 21:32:23 GMT 2025

PRIMARY

CAS

845714-00-3

Created by admin on Mon Mar 31 21:32:23 GMT 2025 , Edited by admin on Mon Mar 31 21:32:23 GMT 2025

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Related Record Type Details


					5M2GUN688C

PHA-767491

ACTIVE MOIETY

Amount: