compound 51 [Crosignani <i>et al.</i>, 2011] | Ligand page

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Ligands
compound 51 [Crosignani et al., 2011]

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

IUPAC Name

N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide

Database Links
ChEMBL Ligand	CHEMBL2036213
GtoPdb PubChem SID	252827435
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.

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.