CFam Chemical Families Database
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You are searching for "CFAMM00113183" in compound.

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CFAM Mol ID CFAMM00113183
Family CFFAD925 Sarcoplasmic/endoplasmic reticulum calcium ATPase inhibitor quinoline derivative Piperaquine Family
Superfamily CFSAD133 Glutamate dehydrogenase, calcium ATPase binding quinoline derivative Chloroquine Piperaquine Superfamily
Class CFCAD131 Class 131
External ID CHEMBL1771554 External Source CHEMBL
PubChem CID 10855223 Functional Category Bioactive
Molecule Name 1-[[3,5-bis[[4-(3,5-dichloro-N-methylanilino)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-N-(3,5-dichlorophenyl)-N-methylpyridin-1-ium-4-amine;tribromide
IUPAC Name 1-[[3,5-bis[[4-(3,5-dichloro-N-methylanilino)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-N-(3,5-dichlorophenyl)-N-methylpyridin-1-ium-4-amine;tribromide
Synonyms CHEBI:1243866
InChi InChI=1S/C45H39Cl6N6.3BrH/c1-52(43-22-34(46)19-35(47)23-43)40-4-10-55(11-5-40)28-31-16-32(29-56-12-6-41(7-13-56)53(2)44-24-36(48)20-37(49)25-44)18-33(17-31)30-57-14-8-42(9-15-57)54(3)45-26-38(50)21-39(51)27-45;;;/h4-27H,28-30H2,1-3H3;3*1H/q+3;;;/p-3
InChiKey MPRWCKXAVYVDIK-UHFFFAOYSA-K
Formula C45H39Br3Cl6N6 Molecular Weight 1116.26
Cross Link CHEMBL1771554
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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