F16357

Ligand id: 9255

Name: F16357

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 23.55
Molecular weight 358.12
XLogP 4.75
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(E)-3-(2-chlorophenyl)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
Synonyms
Compound 39 [PMID: 19791800] | Example 1 in WO2007147824
Database Links
ChEMBL Ligand CHEMBL559808
PubChem CID 19323337
Search Google for chemical match using the InChIKey RMDYFILMTQCLCQ-JXMROGBWSA-N
Search Google for chemicals with the same backbone RMDYFILMTQCLCQ
Search UniChem for chemical match using the InChIKey RMDYFILMTQCLCQ-JXMROGBWSA-N
Search UniChem for chemicals with the same backbone RMDYFILMTQCLCQ
Comments
Context of this referenced study is testing the F16357 antagonism of PAR1 in rat bladder under inflammatory conditions, in particular to prevent the pathophysiological symptoms of cyclophosphamide-induced interstitial cystitis (IC) [1].