CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00241962" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00241962
Family CFFID1540 Cytochrome P450 3A4 Inhibitor 3-(3-methylthiophen-2-yl)pyridine Family
Superfamily CFSID966 Cytochrome P450 3A4 and Cytochrome P450 11B1, mitochondrial Binder Superfamily
Class CFCID450 Class 1800
External ID CHEMBL97302 External Source CHEMBL
PubChem CID 15166845 Functional Category Bioactive
Molecule Name SureCN9466973
IUPAC Name 4-[4-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]pyridine
Synonyms AGN-PC-0041B1;CHEBI:254847;Pyridine, 1,2,3,6-tetrahydro-1-[4-(4-pyridinyl)butyl]-4-(2-thienyl)-
InChi InChI=1S/C18H22N2S/c1(4-16-6-10-19-11-7-16)2-12-20-13-8-17(9-14-20)18-5-3-15-21-18/h3,5-8,10-11,15H,1-2,4,9,12-14H2
InChiKey FXHUAMJZVUMXSB-UHFFFAOYSA-N
Formula C18H22N2S Molecular Weight 298.45
Cross Link CHEMBL97302
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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