CGP-74514

Details

Stereochemistry	RACEMIC
Molecular Formula	C19H24ClN7
Molecular Weight	385.894
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN1C=NC2=C(NC3=CC=CC(Cl)=C3)N=C(N[C@@H]4CCCC[C@@H]4N)N=C12

InChI

InChIKey=UTBSBSOBZHXMHI-LSDHHAIUSA-N

InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H24ClN7
Molecular Weight	385.894
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Cyclin-dependent kinase 1 27 Target ID: CHEMBL308 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10896313	Inhibitor 8297		25.0 nM [IC50]
Cyclin-dependent kinase 1 27 Target ID: CHEMBL308 Sources: https://adisinsight.springer.com/drugs/800010661 \| https://www.ncbi.nlm.nih.gov/pubmed/22552889	Inhibitor 8297		25.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:41:15 GMT 2023` Edited by `admin` on `Sat Dec 16 09:41:15 GMT 2023`
Record UNII	7LQ52UF48A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CGP-74514

Common Name

English

9H-PURINE-2,6-DIAMINE, N2-(2-AMINOCYCLOHEXYL)-N6-(3-CHLOROPHENYL)-9-ETHYL-, CIS-

Systematic Name

English

9H-PURINE-2,6-DIAMINE, N2-((1R,2S)-2-AMINOCYCLOHEXYL)-N6-(3-CHLOROPHENYL)-9-ETHYL-, REL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

2794188

Created by admin on Sat Dec 16 09:41:15 GMT 2023 , Edited by admin on Sat Dec 16 09:41:15 GMT 2023

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FDA UNII

7LQ52UF48A

Created by admin on Sat Dec 16 09:41:15 GMT 2023 , Edited by admin on Sat Dec 16 09:41:15 GMT 2023

PRIMARY

EPA CompTox

DTXSID801018068

Created by admin on Sat Dec 16 09:41:15 GMT 2023 , Edited by admin on Sat Dec 16 09:41:15 GMT 2023

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CAS

190653-73-7

Created by admin on Sat Dec 16 09:41:15 GMT 2023 , Edited by admin on Sat Dec 16 09:41:15 GMT 2023

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Related Record Type Details


					7LQ52UF48A

CGP-74514

ACTIVE MOIETY