ONO-8539

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

Identification

Name
ONO-8539
Accession Number
DB15325
Description

ONO-8539 is under investigation in clinical trial NCT01707901 (A Study of the Effect of ONO-8539 on Oesophageal Pain Hypersensitivity in Patients With Non-erosive Reflux Disease).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 500.63
Monoisotopic: 500.143964358
Chemical Formula
C25H28N2O5S2
Synonyms
Not Available

Pharmacology

Indication
Not Available
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
Affected organisms
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

Products

Categories

Drug Categories
Classification
Not classified

Chemical Identifiers

UNII
94W010PZ1Z
CAS number
459842-29-6
InChI Key
ALLLQQUASFFEKP-UHFFFAOYSA-N
InChI
InChI=1S/C25H28N2O5S2/c1-16(2)14-27(34(30,31)25-26-9-10-33-25)22-12-18-5-4-6-19(18)13-23(22)32-15-21-8-7-20(24(28)29)11-17(21)3/h7-13,16H,4-6,14-15H2,1-3H3,(H,28,29)
IUPAC Name
3-methyl-4-[({6-[N-(2-methylpropyl)1,3-thiazole-2-sulfonamido]-2,3-dihydro-1H-inden-5-yl}oxy)methyl]benzoic acid
SMILES
CC(C)CN(C1=CC2=C(CCC2)C=C1OCC1=CC=C(C=C1C)C(O)=O)S(=O)(=O)C1=NC=CS1

References

General References
Not Available
ChemSpider
16129513
BindingDB
190563
ChEMBL
CHEMBL3912251

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentUrinary Bladder, Overactive1
1CompletedTreatmentAcid Reflux1
1CompletedTreatmentGastro-esophageal Reflux Disease (GERD)1

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 Solubility0.00143 mg/mLALOGPS
logP3.91ALOGPS
logP6.02ChemAxon
logS-5.5ALOGPS
pKa (Strongest Acidic)4.07ChemAxon
pKa (Strongest Basic)-1.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area96.8 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity132.47 m3·mol-1ChemAxon
Polarizability52.53 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
Not Available

Drug created on May 20, 2019 09:14 / Updated on June 12, 2020 10:53

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