CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00268742" 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 CFAMM00268742
Family CFFID2461 C-C chemokine receptor type 5 Ligand GT-1282 Family
Superfamily CFSID40 C-C chemokine receptor type 5 Binder Superfamily
Class CFCID24 Class 1374
External ID DNC008125 External Source TTD
PubChem CID 10278617 Functional Category Investigative Drug
Molecule Name GT-1282
IUPAC Name (2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[4-(N-pyridin-3-ylanilino)piperidin-1-yl]piperidin-1-yl]methanone
Synonyms CHEMBL255858;NIBR-1282;CHEBI:524432;DNC008125;GT-1282;NIBR-1282;GT-1282
InChi InChI=1S/C30H37N5O2/c1-23-11-19-34(37)24(2)28(23)29(36)32-20-14-30(3,15-21-32)33-17-12-26(13-18-33)35(25-8-5-4-6-9-25)27-10-7-16-31-22-27/h4-11,16,19,22,26H,12-15,17-18,20-21H2,1-3H3
InChiKey DDVVRHNNOPQPGB-UHFFFAOYSA-N
Formula C30H37N5O2 Molecular Weight 499.65
Cross Link CHEMBL255858
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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