compound 51 [Crosignani et al., 2011]

Ligand id: 8777

Name: compound 51 [Crosignani et al., 2011]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 84
Molecular weight 409.12
XLogP 5.22
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
Database Links
ChEMBL Ligand CHEMBL2036213
PubChem CID 49872868
Search Google for chemical match using the InChIKey XQIZEBWLPMOVGN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XQIZEBWLPMOVGN
Search UniChem for chemical match using the InChIKey XQIZEBWLPMOVGN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XQIZEBWLPMOVGN
Comments
Compound 51 was tested in a study to identify DP2 prostanoid receptor antagonists [1]. The inhibitory action of the compound on cytochrome P450 enzymes was tested as a predictor of metabolic stability.