NAV

Balovaptan

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

Identification

Generic Name
Balovaptan
DrugBank Accession Number
DB14823
Background

Balovaptan is under investigation in clinical trial NCT01793441 (A Study of RG7314 to Investigate Efficacy and Safety in Individuals With Autism Spectrum Disorders (ASD)).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 409.92
Monoisotopic: 409.1669381
Chemical Formula
C22H24ClN5O
Synonyms
  • Balovaptan
External IDs
  • RG7314
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Pharmacology

Indication

Not Available

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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
RAX5D5AGV6
CAS number
1228088-30-9
InChI Key
GMPZPHGHNDMRKL-RZDIXWSQSA-N
InChI
InChI=1S/C22H24ClN5O/c1-27-13-16-12-17(23)7-10-19(16)28-20(14-27)25-26-22(28)15-5-8-18(9-6-15)29-21-4-2-3-11-24-21/h2-4,7,10-12,15,18H,5-6,8-9,13-14H2,1H3/t15-,18-
IUPAC Name
12-chloro-8-methyl-3-[(1r,4r)-4-(pyridin-2-yloxy)cyclohexyl]-2,4,5,8-tetraazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaene
SMILES
CN1CC2=NN=C([C@H]3CC[C@@H](CC3)OC3=NC=CC=C3)N2C2=CC=C(Cl)C=C2C1

References

General References
Not Available
ChemSpider
59718648
Wikipedia
Balovaptan

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentAutism Disorder1
2CompletedTreatmentPost Traumatic Stress Disorder (PTSD)1
2WithdrawnTreatmentAcute Ischemic Stroke1
1CompletedOtherHealthy Volunteers (HV)2
1CompletedTreatmentAutism Disorder1

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 Solubility0.0291 mg/mLALOGPS
logP3.68ALOGPS
logP3.71Chemaxon
logS-4.2ALOGPS
pKa (Strongest Basic)3.84Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area56.07 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity125.18 m3·mol-1Chemaxon
Polarizability43.95 Å3Chemaxon
Number of Rings5Chemaxon
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-0004900000-caf7afe327561ae90f95
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4l-5000900000-de33d626138a35c526a2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0000900000-415f28eb4dc86911a1ab
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-3006900000-6a7d5b221b71a8c7e57c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00ai-0259100000-7ca5bbce0bff1ec51186
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9054100000-466e598c54afeaa6c7a8
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:29 / Updated at February 21, 2021 18:54