MRL-248

Ligand id: 9080

Name: MRL-248

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 82.33
Molecular weight 465.05
XLogP 4.77
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}-3-fluorobenzoic acid
Database Links
PubChem CID 121231396
Search Google for chemical match using the InChIKey ODEANEWMWSRFHI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ODEANEWMWSRFHI
Search UniChem for chemical match using the InChIKey ODEANEWMWSRFHI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ODEANEWMWSRFHI
Comments
MRL-248 is a selective, small molecule antagonist of RORγt, an isoform of RORγ (RAR related orphan receptor C), with antiinflammatory potential [1].