Balipodect

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

Identification

Name
Balipodect
Accession Number
DB14774
Type
Small Molecule
Groups
Investigational
Description

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).

Structure
Thumb
Synonyms
Not Available
External IDs
TAK-063
Categories
Not Available
UNII
6650W303H0
CAS number
1238697-26-1
Weight
Average: 428.427
Monoisotopic: 428.139701974
Chemical Formula
C23H17FN6O2
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

Pharmacology

Indication
Not Available
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
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

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceKetamine-Induced Brain Activity Changes / Psychotic-like Symptoms1
1CompletedTreatmentHealthy Volunteers1
1CompletedTreatmentSchizophrenia1
2CompletedTreatmentSchizophrenia1

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
Not Available

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 08:26 / Updated on June 12, 2020 10:53

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