belnacasan

Ligand id: 9035

Name: belnacasan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 140.06
Molecular weight 508.21
XLogP 1.66
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Is prodrug? Yes
Active form VRT-043198
IUPAC Name
(2S)-1-[(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
Synonyms
VX-765
Database Links
GtoPdb PubChem SID 315661120
PubChem CID 11398092
Search Google for chemical match using the InChIKey SJDDOCKBXFJEJB-MOKWFATOSA-N
Search Google for chemicals with the same backbone SJDDOCKBXFJEJB
Search UniChem for chemical match using the InChIKey SJDDOCKBXFJEJB-MOKWFATOSA-N
Search UniChem for chemicals with the same backbone SJDDOCKBXFJEJB
Comments
Vertex prodrug of VRT-043198; inhibitor of caspase-1 as a cytokine inhibitor for treatment of inflammatory diseases [1].