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

Identification

Generic Name
Napabucasin
DrugBank Accession Number
DB12155
Background

Napabucasin has been investigated for the treatment of Colorectal Carcinoma.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 240.214
Monoisotopic: 240.042258738
Chemical Formula
C14H8O4
Synonyms
  • Napabucasin
External IDs
  • BBI-608
  • BBI608

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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as naphthofurans. These are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Naphthofurans
Sub Class
Not Available
Direct Parent
Naphthofurans
Alternative Parents
Naphthalenes / Aryl alkyl ketones / Heteroaromatic compounds / Furans / Oxacyclic compounds / Organic oxides / Hydrocarbon derivatives / Aldehydes
Substituents
Aldehyde / Aromatic heteropolycyclic compound / Aryl alkyl ketone / Aryl ketone / Benzenoid / Furan / Heteroaromatic compound / Hydrocarbon derivative / Ketone / Naphthalene
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Z1HHM49K7O
CAS number
83280-65-3
InChI Key
DPHUWDIXHNQOSY-UHFFFAOYSA-N
InChI
InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3
IUPAC Name
2-acetyl-4H,9H-naphtho[2,3-b]furan-4,9-dione
SMILES
CC(=O)C1=CC2=C(O1)C(=O)C1=CC=CC=C1C2=O

References

General References
Not Available
PubChem Compound
10331844
PubChem Substance
347828449
ChemSpider
8507304
ChEMBL
CHEMBL64130
ZINC
ZINC000013306865

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentColorectal Cancer2
3CompletedTreatmentGastroesophageal Junction Cancer / Malignant Neoplasm of Stomach1
3CompletedTreatmentPancreatic Ductal Carcinoma1
3RecruitingTreatmentPancreatic Metastatic Cancer1
3RecruitingTreatmentPreviously Treated Metastatic Colorectal Cancer1
3TerminatedTreatmentNon-Small Cell Lung Carcinoma (NSCLC)1
2CompletedTreatmentColorectal Cancer1
2CompletedTreatmentMetastatic Colorectal Cancer (CRC)1
1CompletedOtherOncology1
1CompletedTreatmentADME / Healthy Subjects (HS)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 Solubility0.115 mg/mLALOGPS
logP2.68ALOGPS
logP1.46ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)13.98ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area64.35 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity63.82 m3·mol-1ChemAxon
Polarizability23.91 Å3ChemAxon
Number of Rings3ChemAxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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

Drug created at October 20, 2016 21:29 / Updated at February 21, 2021 18:53