NAV

Plumbagin

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

Identification

Generic Name
Plumbagin
DrugBank Accession Number
DB17048
Background

Plumbagin is a compound investigated for its anticancer activity. It has been found that it inactivates the Akt/NF-kB, MMP-9 and VEGF pathways.1

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 188.182
Monoisotopic: 188.047344118
Chemical Formula
C11H8O3
Synonyms
  • 5-hydroxy-2-methyl-1,4-naphthalenedione
External IDs
  • NSC-236613
  • NSC-688284
  • PCUR-101
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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
YAS4TBQ4OQ
CAS number
481-42-5
InChI Key
VCMMXZQDRFWYSE-UHFFFAOYSA-N
InChI
InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
IUPAC Name
5-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione
SMILES
CC1=CC(=O)C2=C(O)C=CC=C2C1=O

References

General References
  1. Roy A: Plumbagin: A Potential Anti-cancer Compound. Mini Rev Med Chem. 2021;21(6):731-737. doi: 10.2174/1389557520666201116144421. [Article]
Human Metabolome Database
HMDB0256646
KEGG Compound
C10387
ChemSpider
9790
BindingDB
50012070
ChEBI
8273
ChEMBL
CHEMBL295316
ZINC
ZINC000000058187
PDBe Ligand
90R
Wikipedia
Plumbagin
PDB Entries
7ca1

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
1RecruitingTreatmentProstate Cancer1
1TerminatedTreatmentMetastatic Castration-Resistant Prostate Cancer (mCRPC)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
PropertyValueSource
Water Solubility1.23 mg/mLALOGPS
logP2.15ALOGPS
logP2.24Chemaxon
logS-2.2ALOGPS
pKa (Strongest Acidic)8.28Chemaxon
pKa (Strongest Basic)-5.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area54.37 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity52.52 m3·mol-1Chemaxon
Polarizability18.53 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)
Not Available

Drug created at October 11, 2022 18:19 / Updated at December 01, 2022 11:34