CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00438786" 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 CFAMM00438786
Family CFFBM16609 Histamine H3 receptor ligand 1-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-3-ynyl]piperidine family
Superfamily CFSBM6882 Histamine H3 receptor and Prelamin-A/C Binder Superfamily 2
Class CFCAD346 Class 346
External ID CHEMBL1771549 External Source CHEMBL
PubChem CID 52952236 Functional Category Bioactive
Molecule Name AGN-PC-09MBFM
IUPAC Name 1-[[3-[3-(1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]phenyl]methyl]-1-azoniabicyclo[2.2.2]octane;dibromide
Synonyms CHEBI:1243861;1-[[3-[3-(1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]phenyl]methyl]-1-azoniabicyclo[2.2.2]octane;dibromide
InChi InChI=1S/C28H38N2.2BrH/c1-3-25(21-29-13-7-23(8-14-29)9-15-29)19-27(5-1)28-6-2-4-26(20-28)22-30-16-10-24(11-17-30)12-18-30;;/h1-6,19-20,23-24H,7-18,21-22H2;2*1H/q+2;;/p-2
InChiKey BRACFVJODBYDLR-UHFFFAOYSA-L
Formula C28H38Br2N2 Molecular Weight 562.42
Cross Link CHEMBL1771549
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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