CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00427183" 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 CFAMM00427183
Family CFFBM14222 Histamine H3 receptor and Sodium-dependent serotonin transporter ligand (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]methanone family
Superfamily CFSID1133 Peroxisome proliferator-activated receptor gamma and Peroxisome proliferator-activated receptor alpha Ligand KRP-297 Superfamily
Class CFCAD216 Class 216
External ID CHEMBL257434 External Source CHEMBL
PubChem CID 24855953 Functional Category Bioactive
Molecule Name (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]methanone
IUPAC Name (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]methanone
Synonyms AGN-PC-04SP2U;SureCN4257127;(4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]methanone
InChi InChI=1S/C24H31N3O2S/c1-25-17-19-16-18(4-11-23(19)29-21-7-9-22(30-2)10-8-21)24(28)27-13-3-12-26(14-15-27)20-5-6-20/h4,7-11,16,20,25H,3,5-6,12-15,17H2,1-2H3
InChiKey DGRXLTADUFHHBN-UHFFFAOYSA-N
Formula C24H31N3O2S Molecular Weight 425.59
Cross Link CHEMBL257434
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
 

 

26224 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', 'CFAMM00427183'),None, txtsearch, CFAMM00427183|