CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00215033" 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 CFAMM00215033
Family CFFID601 5-hydroxytryptamine receptor 3A and Alpha-2A adrenergic receptor Ligand Ciproxifan Family
Superfamily CFSID494 Histamine H3 receptor and Alpha-2A adrenergic receptor Binder Superfamily
Class CFCID321 Class 1671
External ID CHEMBL129048 External Source CHEMBL
PubChem CID 44351830 Functional Category Bioactive
Molecule Name (Z)-but-2-enedioic acid;1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]hexan-1-one
IUPAC Name (Z)-but-2-enedioic acid;1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]hexan-1-one
Synonyms CHEBI:312879
InChi InChI=1S/C18H24N2O2.C4H4O4/c1-2-3-4-7-18(21)15-8-10-17(11-9-15)22-12-5-6-16-13-19-14-20-16;5-3(6)1-2-4(7)8/h8-11,13-14H,2-7,12H2,1H3,(H,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChiKey PDVNSOPRLSJNRM-BTJKTKAUSA-N
Formula C18H24N2O2.C4H4O4 Molecular Weight 416.47
Cross Link CHEMBL129048
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
 

 

68005 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', 'CFAMM00215033'),None, txtsearch, CFAMM00215033|