CFam Chemical Families Database
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You are searching for "CFAMM00469772" 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 CFAMM00469772
Family CFFBM24398 Mitogen-activated protein kinase 10 and Mitogen-activated protein kinase 9 inhibitor AGN-PC-09QLGK family
Superfamily CFSBM9653 Mitogen-activated protein kinase 9 and Mitogen-activated protein kinase 10 Binder Superfamily
Class CFCCD361 Class 1174
External ID CHEMBL1644638 External Source CHEMBL
PubChem CID 53323989 Functional Category Bioactive
Molecule Name AGN-PC-09QLGO
IUPAC Name 5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(oxan-4-ylmethyl)-1,2,4-triazol-3-one
Synonyms CHEBI:1159547;5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(oxan-4-ylmethyl)-1,2,4-triazol-3-one
InChi InChI=1S/C29H33N5O2/c35-29-33(20-21-13-16-36-17-14-21)32-28(34(29)26-11-10-22-6-4-5-7-23(22)18-26)24-12-15-30-27(19-24)31-25-8-2-1-3-9-25/h4-7,10-12,15,18-19,21,25H,1-3,8-9,13-14,16-17,20H2,(H,30,31)
InChiKey DXTYYUXUIQZDHR-UHFFFAOYSA-N
Formula C29H33N5O2 Molecular Weight 483.60
Cross Link CHEMBL1644638
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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