CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00324978" 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 CFAMM00324978
Family CFFBM1556 Bifunctional dihydrofolate reductase-thymidylate synthase inhibitor AGN-PC-007JME family
Superfamily CFSID2433 Sodium channel protein type 5 subunit alpha Ligand Enecadin Superfamily
Class CFCAD685 Class 685
External ID CHEMBL457726 External Source CHEMBL
PubChem CID 25093364 Functional Category Bioactive
Molecule Name SureCN4043122
IUPAC Name 5-[3-[3-[2,6-di(propan-2-yl)phenyl]-5-methoxyphenyl]but-1-ynyl]-6-methylpyrimidine-2,4-diamine
Synonyms propargyl-based inhibitor, 10d (+/-);2,4-Diamino-5-[3-(3-methoxy-5-(2,6-diisopropylphenyl)phenyl)-
InChi InChI=1S/C28H34N4O/c1-16(2)23-9-8-10-24(17(3)4)26(23)21-13-20(14-22(15-21)33-7)18(5)11-12-25-19(6)31-28(30)32-27(25)29/h8-10,13-18H,1-7H3,(H4,29,30,31,32)
InChiKey VOTVRUAOKKCDKI-UHFFFAOYSA-N
Formula C28H34N4O Molecular Weight 442.60
Cross Link CHEMBL457726
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
 

 

27511 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', 'CFAMM00324978'),None, txtsearch, CFAMM00324978|