ARN19702

Ligand id: 10120

Name: ARN19702

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 107.2
Molecular weight 447.11
XLogP 3.91
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2-ethylsulfonylphenyl)-[(2S)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methyl-piperazin-1-yl]methanone
Synonyms
ARN-19702 | compound 8 [PMID: 27404798]
Comments
ARN19702 is a second generation non-covalent inhibitor of N-acylethanolamine acid amidase (NAAA) [1].
Database Links
GtoPdb PubChem SID 381118830
PubChem CID 132145761
RCSB PDB Ligand WTF
Search Google for chemical match using the InChIKey UKQOLPNYRVPCBM-AWEZNQCLSA-N
Search Google for chemicals with the same backbone UKQOLPNYRVPCBM
Search UniChem for chemical match using the InChIKey UKQOLPNYRVPCBM-AWEZNQCLSA-N
Search UniChem for chemicals with the same backbone UKQOLPNYRVPCBM