CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00421170" 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 CFAMM00421170
Family CFFBM13232 Renin and Cytochrome P450 3A4 inhibitor AGN-PC-046RG9 family
Superfamily CFSID1584 Melanin-concentrating hormone receptor 1 Binder Superfamily
Class CFCID896 Class 2246
External ID CHEMBL240566 External Source CHEMBL
PubChem CID 23647883 Functional Category Bioactive
Molecule Name AGN-PC-046RG0
IUPAC Name 6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-ethyl-4-(3-methoxypropyl)-2-methyl-1,4-benzoxazin-3-one
Synonyms 1,4-benzoxazin-3-one, 22;6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-ethyl-4-(3-methoxypropyl)-2-methyl-1,4-benzoxazin-3-one
InChi InChI=1S/C21H29N5O3/c1-5-14-17(18(22)25-20(23)24-14)13-8-9-16-15(12-13)26(10-7-11-28-4)19(27)21(3,6-2)29-16/h8-9,12H,5-7,10-11H2,1-4H3,(H4,22,23,24,25)
InChiKey RNPYGOUJOKJBQI-UHFFFAOYSA-N
Formula C21H29N5O3 Molecular Weight 399.49
Cross Link CHEMBL240566
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
 

 

27620 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', 'CFAMM00421170'),None, txtsearch, CFAMM00421170|