CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00437024" 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 CFAMM00437024
Family CFFBM16102 Kappa-type opioid receptor and Mu-type opioid receptor ligand CHEMBL348011 family
Superfamily CFSBM655 Mu-type opioid receptor and Kappa-type opioid receptor Binder Superfamily 4
Class CFCCD205 Class 1018
External ID CHEMBL40643 External Source CHEMBL
PubChem CID 44288270 Functional Category Bioactive
Molecule Name (7R,7aR,12bS)-3-methyl-7-[(5-nitropyridin-2-yl)disulfanyl]-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-ol
IUPAC Name (7R,7aR,12bS)-3-methyl-7-[(5-nitropyridin-2-yl)disulfanyl]-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-ol
Synonyms CHEBI:161928
InChi InChI=1S/C22H23N3O4S2/c1-24-9-8-22-14-4-6-17(30-31-18-7-3-13(11-23-18)25(27)28)21(22)29-20-16(26)5-2-12(19(20)22)10-15(14)24/h2-3,5,7,11,14-15,17,21,26H,4,6,8-10H2,1H3/t14?,15?,17-,21+,22+/m1/s1
InChiKey RAEKUJQUZFRYFZ-LGAANGJZSA-N
Formula C22H23N3O4S2 Molecular Weight 457.57
Cross Link CHEMBL40643
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
 

 

27676 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', 'CFAMM00437024'),None, txtsearch, CFAMM00437024|