NAV

Voxtalisib

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
3D
Similar Structures
Weight
Average: 270.296
Monoisotopic: 270.122909095
Chemical Formula
C13H14N6O
Synonyms
  • Voxtalisib
External IDs
  • SAR-245409
  • SAR245409

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 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
PubChem Compound
16123056
PubChem Substance
347828646
ChemSpider
17279963
ChEBI
124914
ChEMBL
CHEMBL3545366
ZINC
ZINC000035308805

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentLymphoma1
2CompletedTreatmentOvarian Cancer1
1CompletedOtherMalignant Neoplasm1
1CompletedTreatmentAstrocytoma, Grade IV / High Grade Glioma: Glioblastoma (GBM)1
1CompletedTreatmentBreast Cancer / Colorectal Cancer / Locally Advanced Solid Neoplasm / Melanoma / Metastatic Solid Neoplasm / Non-Small Cell Lung Cancer (NSCLC)1
1CompletedTreatmentCancer1
1CompletedTreatmentCancer / Non-Small Cell Lung Cancer (NSCLC)1
1CompletedTreatmentChronic Lymphocytic Leukemia / Indolent Non Hodgkin's Lymphoma (iNHL) / Mantle Cell Lymphoma (MCL)1
1CompletedTreatmentGlioblastoma Multiforme (GBM) / Malignant Glioma / Mixed Gliomas1
1, 2CompletedTreatmentBreast Cancer1

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 Solubility0.369 mg/mLALOGPS
logP1ALOGPS
logP0.36Chemaxon
logS-2.9ALOGPS
pKa (Strongest Acidic)7.32Chemaxon
pKa (Strongest Basic)3.67Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area100.79 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity77.38 m3·mol-1Chemaxon
Polarizability28.04 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 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 22:14 / Updated at February 21, 2021 18:53