CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00438706" 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 CFAMM00438706
Family CFFBM16590 C-C chemokine receptor type 2 ligand N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(methoxymethyl)-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide family
Superfamily CFSBM4149 C-C chemokine receptor type 2 and C-C chemokine receptor type 5 Binder Superfamily 2
Class CFCBM420 Class 3470
External ID CHEMBL402624 External Source CHEMBL
PubChem CID 44447789 Functional Category Bioactive
Molecule Name 3-[1-[(1R,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-3-(2-hydroxypropan-2-yl)cyclopentyl]piperidin-4-yl]benzoic acid
IUPAC Name 3-[1-[(1R,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-3-(2-hydroxypropan-2-yl)cyclopentyl]piperidin-4-yl]benzoic acid
Synonyms CHEBI:524490
InChi InChI=1S/C30H34F6N2O4/c1-27(2,42)28(26(41)37-17-18-12-22(29(31,32)33)15-23(13-18)30(34,35)36)9-6-24(16-28)38-10-7-19(8-11-38)20-4-3-5-21(14-20)25(39)40/h3-5,12-15,19,24,42H,6-11,16-17H2,1-2H3,(H,37,41)(H,39,40)/t24-,28-/m1/s1
InChiKey XJRKSIGWBHUEDQ-UFHPHHKVSA-N
Formula C30H34F6N2O4 Molecular Weight 600.59
Cross Link CHEMBL402624
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
 

 

41621 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', 'CFAMM00438706'),None, txtsearch, CFAMM00438706|