CFam Chemical Families Database
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You are searching for "CFAMM00241972" 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 CFAMM00241972
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 CHEMBL1092766 External Source CHEMBL
PubChem CID 46884200 Functional Category Bioactive
Molecule Name 2-[3-[(1S)-1-(2-chloropyridin-3-yl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
IUPAC Name 2-[3-[(1S)-1-(2-chloropyridin-3-yl)ethyl]-1-benzothiophen-2-yl]-N,N-dimethylethanamine
Synonyms CHEBI:720166
InChi InChI=1S/C19H21ClN2S/c1-13(14-8-6-11-21-19(14)20)18-15-7-4-5-9-16(15)23-17(18)10-12-22(2)3/h4-9,11,13H,10,12H2,1-3H3/t13-/m1/s1
InChiKey FHUODQKGUFFZJE-CYBMUJFWSA-N
Formula C19H21ClN2S Molecular Weight 344.90
Cross Link CHEMBL1092766
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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