CFam Chemical Families Database
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You are searching for "CFAMM00152611" 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 CFAMM00152611
Family CFFCD349 Dipeptidyl peptidase 4 Inhibitor TAK-100 Family
Superfamily CFSCD321 Dipeptidyl peptidase 4 Inhibitor TAK-100 Superfamily
Class CFCCD235 Class 1048
External ID DCL000648 External Source TTD
PubChem CID 53326686 Functional Category Clinical Trial Drug
Molecule Name TAK-100
IUPAC Name 2-[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid;hydrate
Synonyms CHEMBL1672127;TAK-100;CHEBI:1169256;2-[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid;hydrate
InChi InChI=1S/C22H30N2O2.H2O/c1-6-18-16(11-20(25)26)21(15-9-7-14(2)8-10-15)17(13-23)19(24-18)12-22(3,4)5;/h7-10H,6,11-13,23H2,1-5H3,(H,25,26);1H2
InChiKey AHWOGMYVGNUCOU-UHFFFAOYSA-N
Formula C22H32N2O3 Molecular Weight 372.50
Cross Link CHEMBL1672127
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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