Balipodect
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- ChemSpider
- 35035198
- ChEMBL
- CHEMBL3989972
- ZINC
- ZINC000114005494
- PDBe Ligand
- 3K9
- PDB Entries
- 3wym
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Schizophrenia 1 1 Completed Basic Science Ketamine-Induced Brain Activity Changes / Psychotic-like behaviour 1 1 Completed Treatment Healthy Volunteers (HV) 1 1 Completed Treatment Schizophrenia 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
Property Value Source Water Solubility 0.0355 mg/mL ALOGPS logP 3.38 ALOGPS logP 4.15 Chemaxon logS -4.1 ALOGPS pKa (Strongest Basic) 1.67 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 77.54 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 129.25 m3·mol-1 Chemaxon Polarizability 42.82 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0000900000-6bf07a0101ba4ccd25ba Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0201900000-5a94ccf89c9c14a7aa06 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0000900000-7001fd0a271cf7f30e4c Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0059-0009600000-c32e379ab0131e13b9b9 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-01wr-0904400000-e263548ffbe8440c917c Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-000x-4529000000-d6ee7e92a40ab74f27cf Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:26 / Updated at February 21, 2021 18:54