CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00192357" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00192357
Family CFFID459 Tyrosine kinase Inhibitor PKI166 Family
Superfamily CFSCD144 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform Inhibitor TG100-115 Superfamily
Class CFCCD118 Class 931
External ID CHEMBL1172208 External Source CHEMBL
PubChem CID 49798796 Functional Category Bioactive
Molecule Name AGN-PC-0886HG
IUPAC Name 4-(4-iodophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-4-ol;oxalic acid
Synonyms CHEBI:749562;4-(4-iodophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperidin-4-ol;oxalic acid
InChi InChI=1S/C19H20IN3O.C2H2O4/c20-16-5-3-15(4-6-16)19(24)7-10-23(11-8-19)13-14-12-22-18-17(14)2-1-9-21-18;3-1(4)2(5)6/h1-6,9,12,24H,7-8,10-11,13H2,(H,21,22);(H,3,4)(H,5,6)
InChiKey MNADEBJCMFYRHR-UHFFFAOYSA-N
Formula C21H22IN3O5 Molecular Weight 523.32
Cross Link CHEMBL1172208
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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