CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00219189" 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.

Search Results

CFAM Mol ID CFAMM00219189
Family CFFID823 Macrophage metalloelastase Inhibitor PF-00356231 Family
Superfamily CFSID676 Macrophage metalloelastase Inhibitor PF-00356231 Superfamily
Class CFCID477 Class 1827
External ID CHEMBL1259032 External Source CHEMBL
PubChem CID 25265257 Functional Category Bioactive
Molecule Name AGN-PC-050W4L
IUPAC Name [4-fluoro-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
Synonyms CHEBI:808048;[4-fluoro-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
InChi InChI=1S/C18H22FN3OS/c1-14-4-5-15(21-11-14)12-20-13-18(19)6-8-22(9-7-18)17(23)16-3-2-10-24-16/h2-5,10-11,20H,6-9,12-13H2,1H3
InChiKey RHEJGKQMVIYWGE-UHFFFAOYSA-N
Formula C18H22FN3OS Molecular Weight 347.45
Cross Link CHEMBL1259032
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
 

 

26820 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00219189'),None, txtsearch, CFAMM00219189|