Balipodect

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

Identification

Generic Name
Balipodect
DrugBank Accession Number
DB14774
Background

Balipodect is under investigation in clinical trial NCT01892189 (Effects of TAK-063 on Preventing Ketamine-Induced Brain Activity Changes as Well as Psychotic-Like Symptoms in Healthy Male Adults).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 428.427
Monoisotopic: 428.139701974
Chemical Formula
C23H17FN6O2
Synonyms
  • Balipodect
External IDs
  • TAK-063

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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
6650W303H0
CAS number
1238697-26-1
InChI Key
KVHRYLNQDWXAGI-UHFFFAOYSA-N
InChI
InChI=1S/C23H17FN6O2/c1-32-21-15-29(19-9-8-17(14-18(19)24)28-13-5-11-25-28)27-22(23(21)31)20-10-12-26-30(20)16-6-3-2-4-7-16/h2-15H,1H3
IUPAC Name
1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1,4-dihydropyridazin-4-one
SMILES
COC1=CN(N=C(C2=CC=NN2C2=CC=CC=C2)C1=O)C1=CC=C(C=C1F)N1C=CC=N1

References

General References
Not Available
ChemSpider
35035198
ChEMBL
CHEMBL3989972
ZINC
ZINC000114005494
PDBe Ligand
3K9
PDB Entries
3wym

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentSchizophrenia1
1CompletedBasic ScienceKetamine-Induced Brain Activity Changes / Psychotic-like behaviour1
1CompletedTreatmentHealthy Volunteers (HV)1
1CompletedTreatmentSchizophrenia1

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 Solubility0.0355 mg/mLALOGPS
logP3.38ALOGPS
logP4.15Chemaxon
logS-4.1ALOGPS
pKa (Strongest Basic)1.67Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area77.54 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity129.25 m3·mol-1Chemaxon
Polarizability42.82 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/MSsplash10-004i-0000900000-6bf07a0101ba4ccd25ba
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0201900000-5a94ccf89c9c14a7aa06
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0000900000-7001fd0a271cf7f30e4c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0059-0009600000-c32e379ab0131e13b9b9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01wr-0904400000-e263548ffbe8440c917c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000x-4529000000-d6ee7e92a40ab74f27cf
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 14:26 / Updated at February 21, 2021 18:54