NAV

Osoresnontrine

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

Identification

Generic Name
Osoresnontrine
DrugBank Accession Number
DB16274
Background

Osoresnontrine is under investigation in clinical trial NCT02281773 (A Study to Investigate the Efficacy, Safety and Tolerability of Four Different Doses of BI 409306 Compared to Placebo Given for 12 Weeks in Patients With Schizophrenia on Stable Antipsychotic Treatment.).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 311.345
Monoisotopic: 311.138224807
Chemical Formula
C16H17N5O2
Synonyms
  • Osoresnontrine
External IDs
  • BI 409306
  • BI-409306
  • SUB 166499
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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
O9OC34WOAY
CAS number
1189767-28-9
InChI Key
BZTIJCSHNVZMES-UHFFFAOYSA-N
InChI
InChI=1S/C16H17N5O2/c22-16-13-10-18-21(12-4-7-23-8-5-12)15(13)19-14(20-16)9-11-3-1-2-6-17-11/h1-3,6,10,12H,4-5,7-9H2,(H,19,20,22)
IUPAC Name
1-(oxan-4-yl)-6-[(pyridin-2-yl)methyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILES
O=C1NC(CC2=NC=CC=C2)=NC2=C1C=NN2C1CCOCC1

References

General References
Not Available
ChemSpider
72379978
BindingDB
50457396
ChEMBL
CHEMBL4206492

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAlzheimer's Disease (AD)2
2CompletedTreatmentSchizophrenia1
2TerminatedPreventionPsychosis1
2TerminatedTreatmentSchizophrenia1
1CompletedTreatmentAlzheimer's Disease (AD) / Schizophrenia1

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 Solubility0.481 mg/mLALOGPS
logP0.88ALOGPS
logP0.25Chemaxon
logS-2.8ALOGPS
pKa (Strongest Acidic)9.13Chemaxon
pKa (Strongest Basic)3.38Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area81.4 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity96.22 m3·mol-1Chemaxon
Polarizability32.09 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-03di-0019000000-69cbcee94efb93348d4e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0069000000-9efc08234d632de7f924
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0049000000-3814a040037f3a8a793c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01tc-1393000000-b5ede02dc5fa561d0a39
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-02vi-0290000000-a3339d46030c1c70e44c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9770000000-1ad2a5ab45a87a194b10
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:17 / Updated at February 21, 2021 18:55