CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00237279" 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 CFAMM00237279
Family CFFID1389 Endothelin B receptor and Endothelin-1 receptor Ligand PD-163140 Family
Superfamily CFSID1109 Endothelin B receptor and Endothelin-1 receptor Ligand PD-163140 Superfamily
Class CFCID354 Class 1704
External ID CHEMBL450337 External Source CHEMBL
PubChem CID 44332735 Functional Category Bioactive
Molecule Name SureCN8184856
IUPAC Name ethyl 3-[[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-yl]oxycarbonylamino]propanoate
Synonyms AGN-PC-074TK3;CHEBI:266954;ethyl 3-[[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-5-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]furan-2-yl]oxycarbonylamino]propanoate
InChi InChI=1S/C34H35NO12/c1-6-43-29(36)13-14-35-33(38)47-34(22-8-10-23(39-2)11-9-22)24(15-20-16-27(40-3)31(42-5)28(17-20)41-4)30(32(37)46-34)21-7-12-25-26(18-21)45-19-44-25/h7-12,16-18H,6,13-15,19H2,1-5H3,(H,35,38)
InChiKey XXSWBYWJOWKKDQ-UHFFFAOYSA-N
Formula C34H35NO12 Molecular Weight 649.64
Cross Link CHEMBL450337
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
 

 

80838 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', 'CFAMM00237279'),None, txtsearch, CFAMM00237279|