Nebicapone
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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
- Nebicapone
- DrugBank Accession Number
- DB14849
- Background
Nebicapone is under investigation in clinical trial NCT03097211 (Effect of BIA 6-512 at Steady-state on the Levodopa Pharmacokinetics With a Single-dose of Levodopa/Benserazide 200/50 mg or With a Single-dose of Levodopa/Benserazide 200/50 mg Plus a Single-dose of Nebicapone 150 mg).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 273.244
Monoisotopic: 273.063722458 - Chemical Formula
- C14H11NO5
- Synonyms
- Nebicapone
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.
Drug Interaction Integrate drug-drug
interactions in your softwareLevodopa The serum concentration of Levodopa can be increased when it is combined with Nebicapone. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
- Kingdom
- Organic compounds
- Super Class
- Phenylpropanoids and polyketides
- Class
- Stilbenes
- Sub Class
- Not Available
- Direct Parent
- Stilbenes
- Alternative Parents
- Alkyl-phenylketones / Nitrophenols / Nitrobenzenes / Aryl alkyl ketones / Benzoyl derivatives / Catechols / Nitroaromatic compounds / 1-hydroxy-2-unsubstituted benzenoids / 1-hydroxy-4-unsubstituted benzenoids / Propargyl-type 1,3-dipolar organic compounds show 6 more
- Substituents
- 1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / Alkyl-phenylketone / Allyl-type 1,3-dipolar organic compound / Aromatic homomonocyclic compound / Aryl alkyl ketone / Aryl ketone / Benzenoid / Benzoyl / C-nitro compound show 21 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- NM2KXJ990T
- CAS number
- 274925-86-9
- InChI Key
- MRFOLGFFTUGAEB-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H11NO5/c16-12(6-9-4-2-1-3-5-9)10-7-11(15(19)20)14(18)13(17)8-10/h1-5,7-8,17-18H,6H2
- IUPAC Name
- 1-(3,4-dihydroxy-5-nitrophenyl)-2-phenylethan-1-one
- SMILES
- OC1=C(O)C(=CC(=C1)C(=O)CC1=CC=CC=C1)[N+]([O-])=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 8014109
- BindingDB
- 50108878
- ChEMBL
- CHEMBL160038
- ZINC
- ZINC000000008750
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Parkinson's Disease (PD) 2 1 Completed Treatment Healthy Volunteers (HV) 1 1 Completed Treatment Parkinson's Disease (PD) 6
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 0.075 mg/mL ALOGPS logP 2.59 ALOGPS logP 2.7 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 5.5 Chemaxon pKa (Strongest Basic) -6.5 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 100.67 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 71.46 m3·mol-1 Chemaxon Polarizability 26.52 Å3 Chemaxon Number of Rings 2 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 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 175.7463002 predictedDarkChem Lite v0.1.0 [M+H]+ 177.1504002 predictedDarkChem Lite v0.1.0 [M+Na]+ 175.5214002 predictedDarkChem Lite v0.1.0
Drug created at May 20, 2019 14:30 / Updated at February 21, 2021 18:54