This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Macozinone
- DrugBank Accession Number
- DB14821
- Background
Macozinone is under investigation in clinical trial NCT03036163 (Phase 1 Study of PBTZ169).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Macozinone (DB14821)
- Weight
- Average: 456.48
Monoisotopic: 456.14429628 - Chemical Formula
- C20H23F3N4O3S
- Synonyms
- Macozinone
- External IDs
- PBTZ169
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- A3M1353L40
- CAS number
- 1377239-83-2
- InChI Key
- BJDZBXGJNBMCAV-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H23F3N4O3S/c21-20(22,23)14-10-15-17(16(11-14)27(29)30)31-19(24-18(15)28)26-8-6-25(7-9-26)12-13-4-2-1-3-5-13/h10-11,13H,1-9,12H2
- IUPAC Name
- 2-[4-(cyclohexylmethyl)piperazin-1-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one
- SMILES
- [O-][N+](=O)C1=C2SC(=NC(=O)C2=CC(=C1)C(F)(F)F)N1CCN(CC2CCCCC2)CC1
References
- General References
- Not Available
- External Links
- ChemSpider
- 57617714
- ChEMBL
- CHEMBL3330226
- ZINC
- ZINC000141433347
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Treatment Tuberculosis (TB) 1 1 Completed Basic Science Healthy Subjects (HS) 1 1 Completed Basic Science Tuberculosis (TB) 1 1 Completed Treatment Pulmonary Tuberculosis (TB) 1 1 Completed Treatment Pulmonary Tuberculosis (TB) / Tuberculosis (TB) 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 0.00233 mg/mL ALOGPS logP 4.07 ALOGPS logP 4.53 Chemaxon logS -5.3 ALOGPS pKa (Strongest Basic) 8.13 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 79.05 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 112.63 m3·mol-1 Chemaxon Polarizability 44.66 Å3 Chemaxon Number of Rings 4 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
- Not Available
Drug created at May 20, 2019 14:29 / Updated at February 21, 2021 18:54