CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00282553" 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 CFAMM00282553
Family CFFID3030 Kappa-type opioid receptor and Mu-type opioid receptor Ligand 2-(2-methylquinolin-4-ylamino)-n-phenylacetamide Family
Superfamily CFSID2125 Kappa-type opioid receptor and Mu-type opioid receptor Ligand 2-(2-methylquinolin-4-ylamino)-n-phenylacetamide Superfamily
Class CFCCD292 Class 1105
External ID CHEMBL184481 External Source CHEMBL
PubChem CID 44392877 Functional Category Bioactive
Molecule Name AGN-PC-075EL0
IUPAC Name N-[4-[[3,6-bis(3-pyrrolidin-1-ylpropanoylamino)acridin-9-yl]amino]phenyl]-6-(4-methylpiperazin-1-yl)-6-oxohexanamide
Synonyms CHEBI:406325;N-[4-[[3,6-bis(3-pyrrolidin-1-ylpropanoylamino)acridin-9-yl]amino]phenyl]-6-(4-methylpiperazin-1-yl)-6-oxohexanamide
InChi InChI=1S/C44H57N9O4/c1-50-26-28-53(29-27-50)43(57)9-3-2-8-40(54)45-32-10-12-33(13-11-32)48-44-36-16-14-34(46-41(55)18-24-51-20-4-5-21-51)30-38(36)49-39-31-35(15-17-37(39)44)47-42(56)19-25-52-22-6-7-23-52/h10-17,30-31H,2-9,18-29H2,1H3,(H,45,54)(H,46,55)(H,47,56)(H,48,49)
InChiKey KMACCIHWEXFGFT-UHFFFAOYSA-N
Formula C44H57N9O4 Molecular Weight 775.98
Cross Link CHEMBL184481
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
 

 

27627 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', 'CFAMM00282553'),None, txtsearch, CFAMM00282553|