NAV

Ebopiprant

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

Identification

Generic Name
Ebopiprant
DrugBank Accession Number
DB16147
Background

Ebopiprant is under investigation in clinical trial NCT03369262 (Poc Study of OBE022 in Threatened Preterm Labour).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 599.74
Monoisotopic: 599.192391718
Chemical Formula
C30H34FN3O5S2
Synonyms
  • Ebopiprant
External IDs
  • OBE-022
  • OBE022
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
Z1AVZ44TEJ
CAS number
2005486-31-5
InChI Key
UUIBKACUTXYSAK-YCVJPRETSA-N
InChI
InChI=1S/C30H34FN3O5S2/c1-20(2)27(32)30(36)39-18-16-26(23-8-12-24(31)13-9-23)33-28(35)29-34(17-19-40-29)41(37,38)25-14-10-22(11-15-25)21-6-4-3-5-7-21/h3-15,20,26-27,29H,16-19,32H2,1-2H3,(H,33,35)/t26-,27-,29-/m0/s1
IUPAC Name
(3S)-3-{[(2S)-3-{[1,1'-biphenyl]-4-sulfonyl}-1,3-thiazolidin-2-yl]formamido}-3-(4-fluorophenyl)propyl (2S)-2-amino-3-methylbutanoate
SMILES
CC(C)[C@H](N)C(=O)OCC[C@H](NC(=O)[C@@H]1SCCN1S(=O)(=O)C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=C(F)C=C1

References

General References
Not Available
ChemSpider
71117516
ChEMBL
CHEMBL3975522

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentPremature Labour1

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 Solubility0.000663 mg/mLALOGPS
logP3.64ALOGPS
logP4.55Chemaxon
logS-6ALOGPS
pKa (Strongest Acidic)12.72Chemaxon
pKa (Strongest Basic)7.48Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area118.8 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity157.82 m3·mol-1Chemaxon
Polarizability61.26 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
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/MSsplash10-0ul0-7401239000-d4158d5d53557b2341b7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-02ta-1600960000-9ac25ff90a5813259b04
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0zmi-9424323000-57aed3d92e334fb519c1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-2429510000-78af003544fd8e5cd698
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fk9-9455010000-aa3791bbe77fa0976511
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0903101000-d0717be879a3cda77ac5
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:13 / Updated at February 21, 2021 18:55