CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00453173" 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 CFAMM00453173
Family CFFBM19805 Toll-like receptor 7 ligand SureCN2060223 family
Superfamily CFSBM511 Toll-like receptor 7 and Sterol O-acyltransferase 1 Binder Superfamily
Class CFCBM197 Class 3247
External ID CHEMBL449896 External Source CHEMBL
PubChem CID 44588974 Functional Category Bioactive
Molecule Name AGN-PC-077RCE
IUPAC Name methyl 2-[4-[[3-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]propyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]methyl]phenyl]acetate
Synonyms CHEBI:614707;methyl 2-[4-[[3-[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]propyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]methyl]phenyl]acetate
InChi InChI=1S/C28H40N8O6/c1-33-11-13-34(14-12-33)19-22(37)35(18-21-7-5-20(6-8-21)17-23(38)41-3)9-4-10-36-26-24(30-28(36)39)25(29)31-27(32-26)42-16-15-40-2/h5-8H,4,9-19H2,1-3H3,(H,30,39)(H2,29,31,32)
Formula C28H40N8O6 Molecular Weight 584.67
Cross Link CHEMBL449896

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



45918 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', 'CFAMM00453173'),None, txtsearch, CFAMM00453173|