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
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].
Database Links
ChEMBL Ligand CHEMBL559808
GtoPdb PubChem SID 315661330
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