CGP-60474

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H18ClN5O
Molecular Weight	355.821
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OCCCNC1=NC=CC(=C1)C2=NC(NC3=CC=CC(Cl)=C3)=NC=C2

InChI

InChIKey=IYNDTACKOAXKBJ-UHFFFAOYSA-N

InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(12-14)23-18-22-9-6-16(24-18)13-5-8-21-17(11-13)20-7-2-10-25/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula	C18H18ClN5O
Molecular Weight	355.821
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15999992
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/23021994

CGP60474 is a promising inhibitor of CDK1 with a high degree of selectivity versus other serine/threonine and tyrosine kinases and show competitive kinetics relative to ATP.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
Cyclin-dependent kinase 1 27 Target ID: CHEMBL308 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23021994	Inhibitor 8297	0.0052 µM [IC50]
Serine/threonine-protein kinase mTOR 35 Target ID: CHEMBL2842 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23021994	Inhibitor 8297	800.0 nM [IC50]
Serine/threonine-protein kinase SMG1 1 Target ID: CHEMBL1795195 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23021994	Inhibitor 8297	110.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
A genome-wide overexpression screen in yeast for small-molecule target identification.	2005 Jan	15664515
Novel and efficient access to phenylamino-pyrimidine type protein kinase C inhibitors utilizing a Negishi cross-coupling strategy.	2005 Jun 24	15960526
Expanding the diversity of allosteric bcr-abl inhibitors.	2010 Oct 14	20828158

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

CGP60474 shows nanomolar inhibition activity for CDK1 kinase. Compound activity was determined using kits from Caliper Life Sciences.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:44:33 GMT 2023` Edited by `admin` on `Sat Dec 16 09:44:33 GMT 2023`
Record UNII	16IP6G5MLC
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CGP-60474

Common Name

English

3-((4-(2-(3-CHLOROPHENYLAMINO)PYRIMIDIN-4-YL)PYRIDIN-2-YL)AMINO)PROPAN-1-OL

Systematic Name

English

1-PROPANOL, 3-((4-(2-((3-CHLOROPHENYL)AMINO)-4-PYRIMIDINYL)-2-PYRIDINYL)AMINO)-

Systematic Name

English

Code System Code Type Description

FDA UNII

16IP6G5MLC

Created by admin on Sat Dec 16 09:44:33 GMT 2023 , Edited by admin on Sat Dec 16 09:44:33 GMT 2023

PRIMARY

CAS

164658-13-3

Created by admin on Sat Dec 16 09:44:33 GMT 2023 , Edited by admin on Sat Dec 16 09:44:33 GMT 2023

PRIMARY

EPA CompTox

DTXSID00167788

Created by admin on Sat Dec 16 09:44:33 GMT 2023 , Edited by admin on Sat Dec 16 09:44:33 GMT 2023

PRIMARY

PUBCHEM

644215

Created by admin on Sat Dec 16 09:44:33 GMT 2023 , Edited by admin on Sat Dec 16 09:44:33 GMT 2023

PRIMARY

Related Record Type Details


					16IP6G5MLC

CGP-60474

ACTIVE MOIETY

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/15999992Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/23021994

Originator

Approval Year

Targets

Conditions

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15999992
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/23021994