compound 19y [Kiss et al., 2011]

Ligand id: 9013

Name: compound 19y [Kiss et al., 2011]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 79.23
Molecular weight 320.02
XLogP 3.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(4-chlorophenoxy)-3-(3,4-dihydroxyphenyl)-1,3,4-oxadiazol-2-one
Database Links
ChEMBL Ligand CHEMBL3218814
PubChem CID 90665948
Search Google for chemical match using the InChIKey NLWUQNVDUOHGIP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NLWUQNVDUOHGIP
Search UniChem for chemical match using the InChIKey NLWUQNVDUOHGIP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NLWUQNVDUOHGIP
Comments
Compound 19y is one of a series of derivatives synthesised and tested by a group from BIAL-Portela & Ca, SA, as inhibitors of fatty acid amide hydrolase (FAAH) [1]. BIAL-Portela were responsible for the development of BIA 10-2474, another FAAH inhibitor that caused serious adverse events in a Phase I clinical trial in January 2016.