compound 13 [PMID: 17502136]

Ligand id: 8797

Name: compound 13 [PMID: 17502136]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 55.76
Molecular weight 469.96
XLogP 6.08
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2,3-bis[(2,4-dichlorophenyl)methoxy]benzoic acid
Database Links
ChEMBL Ligand CHEMBL1908862
GtoPdb PubChem SID 252827455
PubChem CID 69586250
Search Google for chemical match using the InChIKey RZFRHJXGOFXNIG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RZFRHJXGOFXNIG
Search UniChem for chemical match using the InChIKey RZFRHJXGOFXNIG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RZFRHJXGOFXNIG
Comments
Compound 13 is reported as a potent inhibitor of both muscle and adipocyte fatty acid binding proteins (FABP3 and FABP4 respectively) [1].