Sepetaprost

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Sepetaprost
Accession Number
DB12043
Type
Small Molecule
Groups
Investigational
Description

Sepetaprost has been used in trials studying the treatment of Open Angle-glaucoma, Ocular Hypertension, and Mild Open Angle-glaucoma (OAG).

Structure
Thumb
Synonyms
Not Available
External IDs
ONO-9054
Categories
UNII
79O7855J4G
CAS number
1262873-06-2
Weight
Average: 482.565
Monoisotopic: 482.247995205
Chemical Formula
C26H36F2O6
InChI Key
BKVUSNOUTQMSBE-XCMGCKIWSA-N
InChI
InChI=1S/C26H36F2O6/c1-16(2)34-26(31)5-3-4-17-6-9-21-20(23(30)13-24(21)32-14-17)10-8-19(29)15-33-25-12-18(27)7-11-22(25)28/h7-8,10-12,16-17,19-21,23-24,29-30H,3-6,9,13-15H2,1-2H3/b10-8+/t17-,19+,20+,21+,23+,24-/m0/s1
IUPAC Name
propan-2-yl 4-[(3S,5aR,6R,7R,8aS)-6-[(1E,3R)-4-(2,5-difluorophenoxy)-3-hydroxybut-1-en-1-yl]-7-hydroxy-octahydro-2H-cyclopenta[b]oxepin-3-yl]butanoate
SMILES
CC(C)OC(=O)CCC[C@H]1CC[C@H]2[C@H](C[C@@H](O)[C@@H]2\C=C\[C@@H](O)COC2=CC(F)=CC=C2F)OC1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
50902259
PubChem Substance
347828354
ChemSpider
32698273

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHealthy Adult Subjects1
1CompletedTreatmentMild Open Angle-glaucoma (OAG) / Ocular Hypertension1
2CompletedTreatmentOcular Hypertension / Open Angle-glaucoma1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00652 mg/mLALOGPS
logP3.69ALOGPS
logP3.7ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)14.01ChemAxon
pKa (Strongest Basic)-2.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area85.22 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity124.09 m3·mol-1ChemAxon
Polarizability51.45 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Fatty Acyls
Sub Class
Eicosanoids
Direct Parent
Prostaglandins and related compounds
Alternative Parents
Phenoxy compounds / Phenol ethers / Oxepanes / Alkyl aryl ethers / Fatty acid esters / Fluorobenzenes / Aryl fluorides / Secondary alcohols / Carboxylic acid esters / Cyclic alcohols and derivatives
show 7 more
Substituents
Prostaglandin skeleton / Phenoxy compound / Phenol ether / Alkyl aryl ether / Oxepane / Fatty acid ester / Fluorobenzene / Halobenzene / Aryl fluoride / Aryl halide
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:15 / Updated on June 04, 2019 07:31