CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00412667" 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 CFAMM00412667
Family CFFBM11934 B1 bradykinin receptor ligand methyl 2-fluoro-6-[3-fluoro-4-[(1R)-1-[[1-(3,3,3-trifluoropropanoylamino)cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate family
Superfamily CFSBM401 Cathepsin S and B1 bradykinin receptor Binder Superfamily
Class CFCBM156 Class 3206
External ID CHEMBL232943 External Source CHEMBL
PubChem CID 16102897 Functional Category Bioactive
Molecule Name MK-0686
IUPAC Name methyl 2-chloro-6-[3-fluoro-4-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate
Synonyms UNII-M310323W0U;CHEBI:496930;MK0686;(1,1'-Biphenyl)-2-carboxylic acid, 3-chloro-3'-fluoro-4'-((1R)-1-(((1-((trifluoroacetyl)amino)cyclopropyl)carbonyl)amino)ethyl)-, methyl ester;3-Chloro-3'-fluoro-4'-((1R)-1-(((1-((trifluoroacetyl)amino)cyclopropyl)carbonyl)amino)ethyl)-(1,1'-biphenyl)-2-carboxylic acid, methyl ester;578727-68-1
InChi InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1
Formula C22H19ClF4N2O4 Molecular Weight 486.84
Cross Link CHEMBL232943

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



68263 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', 'CFAMM00412667'),None, txtsearch, CFAMM00412667|