CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00482021" 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 CFAMM00482021
Family CFFBM27272 P2X purinoceptor 7 inhibitor N-cyano-N'-(2-methylphenyl)-4-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenylpiperazine-1-carboximidamide family
Superfamily CFSBM2285 P2X purinoceptor 7 and Melanocortin receptor 4 Binder Superfamily
Class CFCCD30 Class 843
External ID CHEMBL271213 External Source CHEMBL
PubChem CID 44455380 Functional Category Bioactive
Molecule Name N-cyano-N'-(2-methylphenyl)-4-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenylpiperazine-1-carboximidamide
IUPAC Name N-cyano-N'-(2-methylphenyl)-4-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenylpiperazine-1-carboximidamide
Synonyms AGN-PC-076FSF;N-cyano-N'-(2-methylphenyl)-4-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenylpiperazine-1-carboximidamide
InChi InChI=1S/C25H27N7O/c1-19-8-6-7-11-22(19)29-25(27-18-26)30-14-15-31(23(16-30)21-9-4-3-5-10-21)24(33)17-32-20(2)12-13-28-32/h3-13,23H,14-17H2,1-2H3,(H,27,29)
InChiKey OBACOJBHISCPLA-UHFFFAOYSA-N
Formula C25H27N7O Molecular Weight 441.53
Cross Link CHEMBL271213
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
 

 

27521 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', 'CFAMM00482021'),None, txtsearch, CFAMM00482021|