CFam Chemical Families Database
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You are searching for "CFAMM00273742" in compound.

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CFAM Mol ID CFAMM00273742
Family CFFID2686 Multidrug resistance protein 1 and Multidrug resistance-associated protein 1 Inhibitor XR-9456 Family
Superfamily CFSID989 Multidrug resistance protein 1 and Multidrug resistance-associated protein 1 Binder Superfamily
Class CFCCD246 Class 1059
External ID CHEMBL13371 External Source CHEMBL
PubChem CID 44268634 Functional Category Bioactive
Molecule Name 4-(N-[(1S,5R)-8-[2-(3,4-dimethoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]anilino)-N,N-diethylbenzamide
IUPAC Name 4-(N-[(1S,5R)-8-[2-(3,4-dimethoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]anilino)-N,N-diethylbenzamide
Synonyms CHEBI:112153
InChi InChI=1S/C34H43N3O3/c1-5-35(6-2)34(38)26-13-15-28(16-14-26)37(27-10-8-7-9-11-27)31-23-29-17-18-30(24-31)36(29)21-20-25-12-19-32(39-3)33(22-25)40-4/h7-16,19,22,29-31H,5-6,17-18,20-21,23-24H2,1-4H3/t29-,30+,31+
InChiKey GUCKXKSRGHSRQI-YHTXFFTCSA-N
Formula C34H43N3O3 Molecular Weight 541.72
Cross Link CHEMBL13371
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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