ACT-389949

Ligand id: 9511

Name: ACT-389949

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 111.87
Molecular weight 428.14
XLogP 4.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(2-{[4-(1,1-difluoroethyl)-1,3-oxazol-2-yl]methyl}-2H-1,2,3-triazol-4-yl)-2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
Database Links
GtoPdb PubChem SID 329968450
PubChem CID 49834265
Search Google for chemical match using the InChIKey PBTWPEDVIMHJEO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PBTWPEDVIMHJEO
Search UniChem for chemical match using the InChIKey PBTWPEDVIMHJEO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PBTWPEDVIMHJEO
Comments
ACT-389949 is a novel potent and selective FPR2/ALX agonist [1]. Results from Phase 1 trials in healthy subjects show that ACT-389949 is well tolerated, but drug potential is hampered by several factors: it causes rapid receptor desensitisation; it elicits only a transient response; biomarker analysis suggests that the response is pro-inflammatory rather than anti-inflammatory [1].