NAV

Nebicapone

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
3D
Similar Structures
Weight
Average: 273.244
Monoisotopic: 273.063722458
Chemical Formula
C14H11NO5
Synonyms
  • Nebicapone
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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.
DrugInteraction
Integrate drug-drug
interactions in your software
LevodopaThe 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
ChemSpider
8014109
BindingDB
50108878
ChEMBL
CHEMBL160038
ZINC
ZINC000000008750

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentParkinson's Disease (PD)2
1CompletedTreatmentHealthy Volunteers (HV)1
1CompletedTreatmentParkinson'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
PropertyValueSource
Water Solubility0.075 mg/mLALOGPS
logP2.59ALOGPS
logP2.7Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)5.5Chemaxon
pKa (Strongest Basic)-6.5Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area100.67 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity71.46 m3·mol-1Chemaxon
Polarizability26.52 Å3Chemaxon
Number of Rings2Chemaxon
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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-175.7463002
predicted
DarkChem Lite v0.1.0
[M+H]+177.1504002
predicted
DarkChem Lite v0.1.0
[M+Na]+175.5214002
predicted
DarkChem Lite v0.1.0

Drug created at May 20, 2019 14:30 / Updated at February 21, 2021 18:54