PF-8380

Ligand id: 9142

Name: PF-8380

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 70.67
Molecular weight 275.13
XLogP 0.34
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-(3-piperazin-1-ylpropanoyl)-3H-1,3-benzoxazol-2-one
Database Links
PubChem CID 59474101
Search Google for chemical match using the InChIKey JSBBLOGNDYVWIC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JSBBLOGNDYVWIC
Search UniChem for chemical match using the InChIKey JSBBLOGNDYVWIC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JSBBLOGNDYVWIC
Comments
PF-8380 is reported as a novel autotaxin inhibitor for use as a tool compound for investigating the in vivo role of autotaxin and LPA in inflammation [2]. The compound is claimed in patent WO2011151461 [1].