MRL-367

Ligand id: 9079

Name: MRL-367

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 102.56
Molecular weight 481.05
XLogP 4.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H,3aH,7aH-pyrazolo[4,3-b]pyridin-3-yl}-5-fluoro-2-hydroxybenzoic acid
Database Links
PubChem CID 121231395
Search Google for chemical match using the InChIKey LCOVNUGQIUYGLV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LCOVNUGQIUYGLV
Search UniChem for chemical match using the InChIKey LCOVNUGQIUYGLV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LCOVNUGQIUYGLV
Comments
MRL-367 is a selective, small molecule antagonist of RORγt, an isoform of RORγ (RAR related orphan receptor C), with antiinflammatory potential [1].