Vinburnine

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

Identification

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Name
Vinburnine
Accession Number
DB13793
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • Vinburnina
Categories
UNII
G54D0HMY25
CAS number
4880-88-0
Weight
Average: 294.398
Monoisotopic: 294.173213336
Chemical Formula
C19H22N2O
InChI Key
WYJAPUKIYAZSEM-MOPGFXCFSA-N
InChI
InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3/t18-,19+/m1/s1
IUPAC Name
(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2,4,6,8(18)-tetraen-17-one
SMILES
[H][C@]12N3CCC[C@@]1(CC)CC(=O)N1C4=CC=CC=C4C(CC3)=C21

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
DrugInteraction
Patent BlueThe therapeutic efficacy of Vinburnine can be decreased when used in combination with Patent Blue.
Additional Data Available
  • Extended Description
    Extended Description

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  • Severity
    Severity

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  • Evidence Level
    Evidence Level

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  • Action
    Action

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Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C09149
ChemSpider
64339
ChEBI
4740
ChEMBL
CHEMBL1892145
Wikipedia
Vinburnine
ATC Codes
C04AX17 — Vinburnine

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.175 mg/mLALOGPS
logP3.3ALOGPS
logP2.74ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)19.25ChemAxon
pKa (Strongest Basic)6.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area25.24 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity87.05 m3·mol-1ChemAxon
Polarizability33.67 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - , positiveLC-MS/MSsplash10-000b-2790000000-d9b39542541cd67b85fa

Taxonomy

Description
This compound belongs to the class of organic compounds known as eburnan-type alkaloids. These are alkaloids with a structure based on the eburnan skeleton, that arises from rearrangement of the aspidospermidine ring system, involving migration of C-21 from C-7 to C-2, fission of the 2,16-bond, and attachment of C-16 to N-1.
Kingdom
Organic compounds
Super Class
Alkaloids and derivatives
Class
Eburnan-type alkaloids
Sub Class
Not Available
Direct Parent
Eburnan-type alkaloids
Alternative Parents
Indolonaphthyridine alkaloids / Beta carbolines / 3-alkylindoles / Naphthyridines / Aralkylamines / Piperidines / Benzenoids / Pyrroles / Heteroaromatic compounds / Trialkylamines
show 6 more
Substituents
Eburna alkaloid / Indolo[3,2-1de][1,5]naphthyridine / Beta-carboline / Pyridoindole / Diazanaphthalene / Naphthyridine / 3-alkylindole / Indole / Indole or derivatives / Aralkylamine
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
alkaloid (CHEBI:4740) / Indole alkaloids (C09149)

Drug created on June 23, 2017 14:48 / Updated on May 01, 2019 13:13