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Details

Stereochemistry ACHIRAL
Molecular Formula C27H27FN8O3
Molecular Weight 530.5545
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GSK-1838705A

SMILES

CN=C(c1c(cccc1N=c2c3cc[nH]c3[nH]c(=Nc4cc5c(ccn5C(=O)CN(C)C)cc4OC)[nH]2)F)O

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 530.5545
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P08069
Gene ID: 3480.0
Gene Symbol: IGF1R
Target Organism: Homo sapiens (Human)
2.0 nM [IC50]
Target ID: P06213
Gene ID: 3643.0
Gene Symbol: INSR
Target Organism: Homo sapiens (Human)
1.6 nM [IC50]
PubMed

PubMed

TitleDatePubMed
Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry.
2010 Nov 24
Comprehensive analysis of kinase inhibitor selectivity.
2011 Oct 30
Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 14:22:53 UTC 2021
Edited
by admin
on Sat Jun 26 14:22:53 UTC 2021
Record UNII
W6545R69M8
Record Status Validated (UNII)
Record Version
  • Download
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 Jun 26 14:22:53 UTC 2021 , Edited by admin on Sat Jun 26 14:22:53 UTC 2021
PRIMARY
CAS
1186659-59-5
Created by admin on Sat Jun 26 14:22:53 UTC 2021 , Edited by admin on Sat Jun 26 14:22:53 UTC 2021
PRIMARY
FDA UNII
W6545R69M8
Created by admin on Sat Jun 26 14:22:53 UTC 2021 , Edited by admin on Sat Jun 26 14:22:53 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY