ONO-9054

Ligand id: 9875

Name: ONO-9054

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 85.22
Molecular weight 482.25
XLogP 4.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
propan-2-yl 4-[(3S,5aR,6R,7R,8aS)-6-[(E,3R)-4-(2,5-difluorophenoxy)-3-hydroxybut-1-enyl]-7-hydroxy-3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b]oxepin-3-yl]butanoate
Synonyms
sepetaprost
Comments
Agonist at both the prostanoid FP and EP3 receptors that has clinical efficacy as an ocular hypotensive agent [1-2,4].
Database Links
CAS Registry No. 1262873-06-2
DrugBank Ligand DB12043
GtoPdb PubChem SID 363894169
PubChem CID 50902259
Search Google for chemical match using the InChIKey BKVUSNOUTQMSBE-XCMGCKIWSA-N
Search Google for chemicals with the same backbone BKVUSNOUTQMSBE
Search UniChem for chemical match using the InChIKey BKVUSNOUTQMSBE-XCMGCKIWSA-N
Search UniChem for chemicals with the same backbone BKVUSNOUTQMSBE