CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00215622" in compound.

Total 1 results found.

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

Search Results

CFAM Mol ID CFAMM00215622
Family CFFID612 Histamine H3 receptor Ligand SCH79687 Family
Superfamily CFSID502 Histamine H3 receptor Ligand SCH79687 Superfamily
Class CFCCD359 Class 1172
External ID CHEMBL1684285 External Source CHEMBL
PubChem CID 53319997 Functional Category Bioactive
Molecule Name 1-[(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one
IUPAC Name 1-[(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one
Synonyms CHEBI:1174560
InChi InChI=1S/C22H26Cl2N6O/c23-15-10-17-18(11-16(15)24)28-22(27-17)20-2-1-6-30(20)21(31)5-9-29-7-3-14(4-8-29)19-12-25-13-26-19/h10-14,20H,1-9H2,(H,25,26)(H,27,28)/t20-/m0/s1
InChiKey XGMRKHKTQXMQEK-FQEVSTJZSA-N
Formula C22H26Cl2N6O Molecular Weight 461.39
Cross Link CHEMBL1684285
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
 

 

54563 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00215622'),None, txtsearch, CFAMM00215622|