NAV

Ellipticine

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

Identification

Generic Name
Ellipticine
DrugBank Accession Number
DB17026
Background

Ellipticine is a potent antineoplastic agent.1

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 246.313
Monoisotopic: 246.115698459
Chemical Formula
C17H14N2
Synonyms
  • 5,11-dimethyl-6h-pyrido(4,3-b)carbazole
External IDs
  • NSC-71795
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
117VLW7484
CAS number
519-23-3
InChI Key
CTSPAMFJBXKSOY-UHFFFAOYSA-N
InChI
InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3
IUPAC Name
5,11-dimethyl-6H-pyrido[4,3-b]carbazole
SMILES
CC1=C2C=CN=CC2=C(C)C2=C1NC1=C2C=CC=C1

References

General References
  1. Stiborova M, Rupertova M, Schmeiser HH, Frei E: Molecular mechanisms of antineoplastic action of an anticancer drug ellipticine. Biomed Pap Med Fac Univ Palacky Olomouc Czech Repub. 2006 Jul;150(1):13-23. doi: 10.5507/bp.2006.002. [Article]
Human Metabolome Database
HMDB0251751
KEGG Compound
C09154
ChemSpider
3100
BindingDB
50004233
ChEBI
4776
ChEMBL
CHEMBL123
ZINC
ZINC000001846592
Wikipedia
Ellipticine

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

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 Solubility0.00364 mg/mLALOGPS
logP4.34ALOGPS
logP3.89Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)15.04Chemaxon
pKa (Strongest Basic)5.12Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area28.68 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity77.85 m3·mol-1Chemaxon
Polarizability28.25 Å3Chemaxon
Number of Rings4Chemaxon
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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 11, 2022 15:51 / Updated at December 01, 2022 11:33