CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00252846" 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 CFAMM00252846
Family CFFID1869 Delta-type opioid receptor and Kappa-type opioid receptor Ligand MCL-144 Family
Superfamily CFSID1427 Kappa-type opioid receptor and Delta-type opioid receptor Binder Superfamily 2
Class CFCID926 Class 2276
External ID DNC006045 External Source TTD
PubChem CID 44406730 Functional Category Investigative Drug
Molecule Name MCL-145
IUPAC Name
Synonyms CHEBI:435742;DNC006045
InChi InChI=1S/C46H58N2O4/c49-43(51-35-15-13-33-25-41-37-11-1-3-19-45(37,39(33)27-35)21-23-47(41)29-31-7-5-8-31)17-18-44(50)52-36-16-14-34-26-42-38-12-2-4-20-46(38,40(34)28-36)22-24-48(42)30-32-9-6-10-32/h13-18,27-28,31-32,37-38,41-42H,1-12,19-26,29-30H2/b18-17+/t37?,38?,41-,42-,45-,46-/m1/s1
InChiKey AJIAOWVCYKDFGH-WHUDDJIUSA-N
Formula C46H58N2O4 Molecular Weight 702.96
Cross Link
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
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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