CFam Chemical Families Database
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You are searching for "CFAMM00411116" in compound.

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CFAM Mol ID CFAMM00411116
Family CFFBM11691 Eukaryotic translation initiation factor 2-alpha kinase 3 inhibitor 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone family
Superfamily CFSCD754 Vascular endothelial growth factor receptor 2 Ligand XL999 Superfamily
Class CFCCD240 Class 1053
External ID CHEMBL2171125 External Source CHEMBL
PubChem CID 66561167 Functional Category Bioactive
Molecule Name GSK PERK Inhibitor
IUPAC Name 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
Synonyms 3-Fluoro-GSK2606414;SureCN869448;GTPL6740;MolPort-028-914-349;compound 38 (PMID: 22827572);FT-0669063;1-[5-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2, 3-dihydroindol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone;1337531-89-1
InChi InChI=1S/C24H19F4N5O/c1-32-11-18(21-22(29)30-12-31-23(21)32)14-2-3-19-15(9-14)4-5-33(19)20(34)8-13-6-16(24(26,27)28)10-17(25)7-13/h2-3,6-7,9-12H,4-5,8H2,1H3,(H2,29,30,31)
InChiKey PXVQGBJMIQCDEX-UHFFFAOYSA-N
Formula C24H19F4N5O Molecular Weight 469.43
Cross Link CHEMBL2171125
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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