CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00147217" 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 CFAMM00147217
Family CFFCD265 Dipeptidyl peptidase 4 Inhibitor Alogliptin Family
Superfamily CFSCD241 Dipeptidyl peptidase 4 Inhibitor Alogliptin Superfamily
Class CFCCD182 Class 995
External ID CHEMBL1650443 External Source CHEMBL
PubChem CID 15983988 Functional Category Bioactive
Molecule Name TRELAGLIPTIN
IUPAC Name 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile
Synonyms 865759-25-7;Trelagliptin (USAN);Trelagliptin [USAN];SYR 472;S7513,865759-25-7;Trelagliptin-5mg;Trelagliptin25mg;Trelagliptin50mg;SureCN175726;UNII-Q836OWG55H
InChi InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1
InChiKey IWYJYHUNXVAVAA-OAHLLOKOSA-N
Formula C18H20FN5O2 Molecular Weight 357.38
Cross Link CHEMBL1650443
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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