CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00147250" 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 CFAMM00147250
Family CFFCD265 Dipeptidyl peptidase 4 Inhibitor Alogliptin Family
Superfamily CFSCD241 Dipeptidyl peptidase 4 Inhibitor Alogliptin Superfamily
Class CFCCD182 Class 995
External ID DCL000421 External Source TTD
PubChem CID 11450633 Functional Category Clinical Trial Drug
Molecule Name Alogliptin
IUPAC Name 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
Synonyms UNII-JHC049LO86;CHEMBL376359;850649-61-5;CHEBI:72323;MolPort-005-933-065;2-({6-[(3r)-3-Aminopiperidin-1-Yl]-3-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl}methyl)benzonitrile;alogliptina;alogliptine;alogliptinum;CID11450633
InChi InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1
InChiKey ZSBOMTDTBDDKMP-OAHLLOKOSA-N
Formula C18H21N5O2 Molecular Weight 339.39
Cross Link CHEMBL376359 DB06203
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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