CFam Chemical Families Database
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You are searching for "CFAMM00152612" 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 CFAMM00152612
Family CFFCD349 Dipeptidyl peptidase 4 Inhibitor TAK-100 Family
Superfamily CFSCD321 Dipeptidyl peptidase 4 Inhibitor TAK-100 Superfamily
Class CFCCD235 Class 1048
External ID CHEMBL1644856 External Source CHEMBL
PubChem CID 53326602 Functional Category Bioactive
Molecule Name AGN-PC-09QN4K
IUPAC Name 2-[[2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridin-3-yl]acetyl]amino]acetic acid;hydrochloride
Synonyms CHEBI:1159881;2-[[2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridin-3-yl]acetyl]amino]acetic acid;hydrochloride
InChi InChI=1S/C22H29N3O3.ClH/c1-13(2)9-19-18(11-23)22(16-7-5-14(3)6-8-16)17(15(4)25-19)10-20(26)24-12-21(27)28;/h5-8,13H,9-12,23H2,1-4H3,(H,24,26)(H,27,28);1H
InChiKey YAWXKMHPIPIDDQ-UHFFFAOYSA-N
Formula C22H30ClN3O3 Molecular Weight 419.94
Cross Link CHEMBL1644856
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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