GSK-1838705A

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H27FN8O3
Molecular Weight	530.5535
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC(=O)C1=C(F)C=CC=C1NC2=C3C=CNC3=NC(NC4=CC5=C(C=CN5C(=O)CN(C)C)C=C4OC)=N2

InChI

InChIKey=DESOLSKAHZZIGK-UHFFFAOYSA-N

InChI=1S/C27H27FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-13H,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34)

HIDE SMILES / InChI

Molecular Formula	C27H27FN8O3
Molecular Weight	530.5535
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	Condition	Potency
Insulin-like growth factor 1 receptor 4 Target ID: P08069 Gene ID: 3480.0 Gene Symbol: IGF1R Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/19825801	Inhibitor 8297		2.0 nM [IC50]
Insulin receptor 13 Target ID: P06213 Gene ID: 3643.0 Gene Symbol: INSR Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/19825801	Inhibitor 8297		1.6 nM [IC50]

PubMed

Title	Date	PubMed
		252160876
Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry.	2010 Nov 24	21095574
Comprehensive analysis of kinase inhibitor selectivity.	2011 Oct 30	22037378

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:08:10 GMT 2023` Edited by `admin` on `Sat Dec 16 10:08:10 GMT 2023`
Record UNII	W6545R69M8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GSK-1838705A

Common Name

English

BENZAMIDE, 2-((2-((1-(2-(DIMETHYLAMINO)ACETYL)-5-METHOXY-1H-INDOL-6-YL)AMINO)-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)-6-FLUORO-N-METHYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

25113169

Created by admin on Sat Dec 16 10:08:10 GMT 2023 , Edited by admin on Sat Dec 16 10:08:10 GMT 2023

PRIMARY

CAS

1186659-59-5

Created by admin on Sat Dec 16 10:08:10 GMT 2023 , Edited by admin on Sat Dec 16 10:08:10 GMT 2023

PRIMARY

FDA UNII

W6545R69M8

Created by admin on Sat Dec 16 10:08:10 GMT 2023 , Edited by admin on Sat Dec 16 10:08:10 GMT 2023

PRIMARY

Related Record Type Details


					HQ6Z0L08Y3

RIBOSOMAL PROTEIN S6 KINASE ALPHA-1

TARGET -> INHIBITOR

Related Record Type Details


					W6545R69M8

GSK-1838705A

ACTIVE MOIETY