CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00316118" 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 CFAMM00316118
Family CFFBM808 Mu-type opioid receptor and Kappa-type opioid receptor ligand AGN-PC-07ZCPQ family
Superfamily CFSBM469 Mu-type opioid receptor and Kappa-type opioid receptor Binder Superfamily 3
Class CFCBM181 Class 3231
External ID CHEMBL1089873 External Source CHEMBL
PubChem CID 46884843 Functional Category Bioactive
Molecule Name 2-[[3-[(E)-3-oxo-2-[1-(2-phenylethyl)piperidin-4-yl]pent-1-enyl]phenyl]methyl]guanidine
IUPAC Name 2-[[3-[(E)-3-oxo-2-[1-(2-phenylethyl)piperidin-4-yl]pent-1-enyl]phenyl]methyl]guanidine
Synonyms CHEBI:721362
InChi InChI=1S/C26H34N4O/c1-2-25(31)24(18-21-9-6-10-22(17-21)19-29-26(27)28)23-12-15-30(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17-18,23H,2,11-16,19H2,1H3,(H4,27,28,29)/b24-18+
InChiKey LXDISLJEMANODO-HKOYGPOVSA-N
Formula C26H34N4O Molecular Weight 418.57
Cross Link CHEMBL1089873
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
 

 

27405 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', 'CFAMM00316118'),None, txtsearch, CFAMM00316118|