Verubulin
Star0
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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- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Verubulin hydrochloride 33380QZ0QW 917369-31-4 VYUWDIKZJLOZJL-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
- External Links
- Human Metabolome Database
- HMDB0247500
- ChemSpider
- 9589686
- ChEMBL
- CHEMBL492399
- ZINC
- ZINC000035978229
- PDBe Ligand
- 88U
- PDB Entries
- 5xkf
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Glioblastoma Multiforme (GBM) 2 1 Completed Treatment Brain Neoplasm 1 1 Completed Treatment Refractory Solid Tumors 1 1, 2 Completed Treatment Metastatic Melanoma 1 1, 2 Unknown Status Treatment Glioblastoma 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
Property Value Source Water Solubility 0.0641 mg/mL ALOGPS logP 3.8 ALOGPS logP 3.91 Chemaxon logS -3.6 ALOGPS pKa (Strongest Basic) 4.94 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 38.25 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 83.58 m3·mol-1 Chemaxon Polarizability 31.04 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0090000000-18b4a5f7068bd9d38ed2 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0190000000-6b8689c2cb3a6c809192 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0190000000-ca90ad581b2a192dc9ef Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-006x-0920000000-bbabb42d0dd6c179689d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0gbc-0930000000-10b3632b6d307eee1268 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00dl-0900000000-cff72c97fd33865e0987 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 18, 2007 18:26 / Updated at July 18, 2023 22:56