CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00152614" in compound.

Total 1 results found.

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 CFAMM00152614
Family CFFCD349 Dipeptidyl peptidase 4 Inhibitor TAK-100 Family
Superfamily CFSCD321 Dipeptidyl peptidase 4 Inhibitor TAK-100 Superfamily
Class CFCCD235 Class 1048
External ID CHEMBL1672116 External Source CHEMBL
PubChem CID 53317557 Functional Category Bioactive
Molecule Name AGN-PC-09QH88
IUPAC Name 3-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridin-3-yl]propanoic acid;hydrochloride
Synonyms CHEBI:1169245;3-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridin-3-yl]propanoic acid;hydrochloride
InChi InChI=1S/C21H28N2O2.ClH/c1-13(2)11-19-18(12-22)21(16-7-5-14(3)6-8-16)17(15(4)23-19)9-10-20(24)25;/h5-8,13H,9-12,22H2,1-4H3,(H,24,25);1H
InChiKey QDLDVGJMPFKRGT-UHFFFAOYSA-N
Formula C21H29ClN2O2 Molecular Weight 376.92
Cross Link CHEMBL1672116
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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