compound 19y [Kiss et al., 2011]   Click here for help

GtoPdb Ligand ID: 9013

Compound class: Synthetic organic
Comment: 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.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 97.2
Molecular weight 320.02
XLogP 3.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(cc1)Oc1oc(=O)n(n1)c1ccc(c(c1)O)O
Isomeric SMILES Clc1ccc(cc1)Oc1oc(=O)n(n1)c1ccc(c(c1)O)O
InChI InChI=1S/C14H9ClN2O5/c15-8-1-4-10(5-2-8)21-13-16-17(14(20)22-13)9-3-6-11(18)12(19)7-9/h1-7,18-19H
InChI Key NLWUQNVDUOHGIP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-(4-chlorophenoxy)-3-(3,4-dihydroxyphenyl)-1,3,4-oxadiazol-2-one
Database Links Click here for help
ChEMBL Ligand CHEMBL3218814
GtoPdb PubChem SID 310264791
PubChem CID 90665948
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