MCC950

Ligand id: 8228

Name: MCC950

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 117.02
Molecular weight 404.14
XLogP 3.99
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea
Database Links
CAS Registry No. 210826-40-7
ChEMBL Ligand CHEMBL3183703
PubChem CID 9910393
Search Google for chemical match using the InChIKey HUUSXLKCTQDPGL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HUUSXLKCTQDPGL
Search UniChem for chemical match using the InChIKey HUUSXLKCTQDPGL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HUUSXLKCTQDPGL
Comments
MCC950 has been reported as a potent and selective inhibitor of the NLRP3 inflammasome, showing potential as an antiinflammatory agent [1] and which will be a useful tool in the examination of NLRP3 biology and its potential for therapeutic intervention.