C391

Ligand id: 9570

Name: C391

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 6
Rotatable bonds 22
Topological polar surface area 244.92
Molecular weight 767.39
XLogP 0.01
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
compound 5 [PMID: 27994760]
Database Links
GtoPdb PubChem SID 336446956
PubChem CID 126970682
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Comments
C391 is a protease activated receptor 2 (PAR2) antagonist [5]. It is a small peptidomimetic derivative of the PAR2 agonist 2-furoyl-LIGRLO-amide [1]. PAR2 antagonists have potential for treating inflammatory, respiratory, gastrointestinal, neurological, and metabolic disorders.