This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Voxtalisib
- DrugBank Accession Number
- DB12400
- Background
Voxtalisib has been used in trials studying the treatment of Cancer, Melanoma, Lymphoma, Glioblastoma, and Breast Cancer, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 270.296
Monoisotopic: 270.122909095 - Chemical Formula
- C13H14N6O
- Synonyms
- Voxtalisib
- External IDs
- SAR-245409
- SAR245409
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.
- 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.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
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pyridines and derivatives
- Sub Class
- Pyrazolylpyridines
- Direct Parent
- Pyrazolylpyridines
- Alternative Parents
- Pyrido[2,3-d]pyrimidines / Pyridinones / Aminopyrimidines and derivatives / Pyrazoles / Heteroaromatic compounds / Lactams / Azacyclic compounds / Primary amines / Organopnictogen compounds / Organooxygen compounds show 2 more
- Substituents
- 3-pyrazolylpyridine / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative / Lactam / Organic nitrogen compound show 11 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- CVL1685GPH
- CAS number
- 934493-76-2
- InChI Key
- RGHYDLZMTYDBDT-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H14N6O/c1-3-19-11-8(7(2)16-13(14)17-11)6-9(12(19)20)10-4-5-15-18-10/h4-6H,3H2,1-2H3,(H,15,18)(H2,14,16,17)
- IUPAC Name
- 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
- SMILES
- CCN1C(=O)C(=CC2=C(C)N=C(N)N=C12)C1=CC=NN1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 16123056
- PubChem Substance
- 347828646
- ChemSpider
- 17279963
- ChEBI
- 124914
- ChEMBL
- CHEMBL3545366
- ZINC
- ZINC000035308805
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Malignant Lymphomas 1 2 Completed Treatment Ovarian Cancer 1 1 Completed Other Neoplasms, Malignant 1 1 Completed Treatment Astrocytoma, Grade IV / Glioblastoma Multiforme (GBM) 1 1 Completed Treatment Breast Cancer / Colorectal Cancer / Locally Advanced Solid Tumors / Melanoma / Non-Small Cell Lung Carcinoma (NSCLC) / Solid Metastatic Tumor 1 1 Completed Treatment Chronic Lymphocytic Leukemia (CLL) / Indolent Non Hodgkin's Lymphoma (iNHL) / Mantle Cell Lymphoma (MCL) 1 1 Completed Treatment Glioblastoma Multiforme (GBM) / Gliomas, Malignant / Mixed Gliomas 1 1 Completed Treatment Malignancies 1 1 Completed Treatment Malignancies / Non-Small Cell Lung Carcinoma (NSCLC) 1 1, 2 Completed Treatment Breast Cancer 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
Property Value Source Water Solubility 0.369 mg/mL ALOGPS logP 1 ALOGPS logP 0.36 ChemAxon logS -2.9 ALOGPS pKa (Strongest Acidic) 7.32 ChemAxon pKa (Strongest Basic) 3.67 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 5 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 100.79 Å2 ChemAxon Rotatable Bond Count 2 ChemAxon Refractivity 77.38 m3·mol-1 ChemAxon Polarizability 28.04 Å3 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No 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 Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 22:14 / Updated at February 21, 2021 18:53