Voxtalisib

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

Identification

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Name
Voxtalisib
Accession Number
DB12400
Type
Small Molecule
Groups
Investigational
Description

Voxtalisib has been used in trials studying the treatment of Cancer, Melanoma, Lymphoma, Glioblastoma, and Breast Cancer, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
SAR-245409 / SAR245409
Categories
UNII
CVL1685GPH
CAS number
934493-76-2
Weight
Average: 270.296
Monoisotopic: 270.122909095
Chemical Formula
C13H14N6O
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
16123056
PubChem Substance
347828646
ChemSpider
17279963
ChEBI
124914
ChEMBL
CHEMBL3545366

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableNeoplasms Malignant1
1CompletedTreatmentAstrocytoma, Grade IV / Glioblastomas1
1CompletedTreatmentCancer, Breast / Colorectal Cancers / Locally Advanced Solid Tumors / Lung Cancer Non-Small Cell Cancer (NSCLC) / Melanoma / Metastatic Solid Tumors1
1CompletedTreatmentChronic Lymphocytic Leukaemia (CLL) / Indolent Non-Hodgkin's Lymphomas / Mantle Cell Lymphoma (MCL)1
1CompletedTreatmentGlioblastoma Multiforme (GBM) / Malignant Gliomas / Mixed Gliomas1
1CompletedTreatmentLung Cancer Non-Small Cell Cancer (NSCLC) / Malignancies1
1CompletedTreatmentMalignancies1
1, 2CompletedTreatmentCancer, Breast1
1, 2CompletedTreatmentNeoplasms Malignant1
2CompletedTreatmentCancer of the Ovary1
2CompletedTreatmentMalignant Lymphomas1

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

Taxonomy

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 / Pyrido[2,3-d]pyrimidine / Pyridopyrimidine / Aminopyrimidine / Pyridinone / Pyrimidine / Azole / Pyrazole / Heteroaromatic compound / Lactam
show 11 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:14 / Updated on June 04, 2019 07:37