Verubulin

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

Identification

Generic Name
Verubulin
DrugBank Accession Number
DB05585
Background

Antineoplastic; a small-molecule inhibitor of microtubule formation that is not a substrate for multidrug resistance pumps.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 279.343
Monoisotopic: 279.137162179
Chemical Formula
C17H17N3O
Synonyms
  • Varbulin
  • Verubulin
External IDs
  • MX-128495

Pharmacology

Indication

Investigated for use/treatment in brain cancer, lung cancer, melanoma, and solid tumors.

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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Verubulin hydrochloride33380QZ0QW917369-31-4VYUWDIKZJLOZJL-UHFFFAOYSA-N
International/Other Brands
Azixa

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
X97O9FTB92
CAS number
827031-83-4
InChI Key
SNHCRNMVYDHVDT-UHFFFAOYSA-N
InChI
InChI=1S/C17H17N3O/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13/h4-11H,1-3H3
IUPAC Name
N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine
SMILES
COC1=CC=C(C=C1)N(C)C1=NC(C)=NC2=C1C=CC=C2

References

General References
Not Available
Human Metabolome Database
HMDB0247500
ChemSpider
9589686
ChEMBL
CHEMBL492399
ZINC
ZINC000035978229
PDBe Ligand
88U
PDB Entries
5xkf

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentGlioblastoma Multiforme (GBM)2
1CompletedTreatmentBrain Neoplasm1
1CompletedTreatmentRefractory Solid Tumors1
1, 2CompletedTreatmentMetastatic Melanoma1
1, 2Unknown StatusTreatmentGlioblastoma Multiforme (GBM)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0641 mg/mLALOGPS
logP3.8ALOGPS
logP3.91Chemaxon
logS-3.6ALOGPS
pKa (Strongest Basic)4.94Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area38.25 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity83.58 m3·mol-1Chemaxon
Polarizability31.04 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-001i-0090000000-18b4a5f7068bd9d38ed2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0190000000-6b8689c2cb3a6c809192
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0190000000-ca90ad581b2a192dc9ef
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-006x-0920000000-bbabb42d0dd6c179689d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gbc-0930000000-10b3632b6d307eee1268
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00dl-0900000000-cff72c97fd33865e0987
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 18, 2007 18:26 / Updated at July 18, 2023 22:56