CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00438019" 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.

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CFAM Mol ID CFAMM00438019
Family CFFBM16398 Histamine H3 receptor ligand AGN-PC-075YVW family
Superfamily CFSBM5865 Beta-lactamase and Histamine H3 receptor Binder Superfamily 8
Class CFCBM1885 Class 4935
External ID CHEMBL373263 External Source CHEMBL
PubChem CID 44406444 Functional Category Bioactive
Molecule Name AGN-PC-075YVW
IUPAC Name methyl 4-[3-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]propanoylamino]benzoate
Synonyms CHEBI:435011;methyl 4-[3-[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]propanoylamino]benzoate
InChi InChI=1S/C20H26N4O3/c1-27-20(26)16-2-4-17(5-3-16)23-19(25)8-11-24-9-6-15(7-10-24)12-18-13-21-14-22-18/h2-5,13-15H,6-12H2,1H3,(H,21,22)(H,23,25)
InChiKey LTXDSDHSYJQXHG-UHFFFAOYSA-N
Formula C20H26N4O3 Molecular Weight 370.45
Cross Link CHEMBL373263
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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