NAV

Paxalisib

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

Identification

Generic Name
Paxalisib
DrugBank Accession Number
DB15186
Background

GDC-0084 is under investigation in clinical trial NCT03696355 (Study of GDC-0084 in Pediatric Patients With Newly Diagnosed Diffuse Intrinsic Pontine Glioma or Diffuse Midline Gliomas).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 382.428
Monoisotopic: 382.18657198
Chemical Formula
C18H22N8O2
Synonyms
  • 5-(6,6-dimethyl-4-morpholino-8,9-dihydro-6H-[1,4]oxazino[3,4-e]purin-2-yl)pyrimidin-2-amine
External IDs
  • G-02441729
  • G02441729
  • GDC-0084
  • GDC0084
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
P5DKZ70636
CAS number
1382979-44-3
InChI Key
LGWACEZVCMBSKW-UHFFFAOYSA-N
InChI
InChI=1S/C18H22N8O2/c1-18(2)16-22-12-14(25-3-6-27-7-4-25)23-13(11-9-20-17(19)21-10-11)24-15(12)26(16)5-8-28-18/h9-10H,3-8H2,1-2H3,(H2,19,20,21)
IUPAC Name
5-[6,6-dimethyl-4-(morpholin-4-yl)-6H,8H,9H-[1,4]oxazino[3,4-h]purin-2-yl]pyrimidin-2-amine
SMILES
CC1(C)OCCN2C1=NC1=C(N=C(N=C21)C1=CN=C(N)N=C1)N1CCOCC1

References

General References
Not Available
ChemSpider
57251291
BindingDB
50177662
ChEMBL
CHEMBL3813842
ZINC
ZINC000149645112

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentDiffuse Intrinsic Pontine Gliomas (DIPG) / Diffuse Midline Glioma, H3 K27M-Mutant / Recurrent Diffuse Intrinsic Pontine Glioma / Recurrent Diffuse Midline Glioma, H3 K27M-Mutant / Recurrent WHO Grade III Glioma / WHO Grade III Gliomas1
2CompletedTreatmentAdult Glioblastoma1
2RecruitingTreatmentBrain Metastases / CDK Gene Mutation / KRAS G12C Mutation / Metastatic Malignant Solid Neoplasms / NTRK Family Gene Mutation / PI3K Gene Mutation / ROS1 Gene Mutation1
2RecruitingTreatmentBreast Cancer1
2RecruitingTreatmentHigh Grade Glioma: Glioblastoma (GBM)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
PropertyValueSource
Water Solubility0.993 mg/mLALOGPS
logP1.62ALOGPS
logP1.32Chemaxon
logS-2.6ALOGPS
pKa (Strongest Acidic)15.83Chemaxon
pKa (Strongest Basic)3.98Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area117.1 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity115.15 m3·mol-1Chemaxon
Polarizability40.86 Å3Chemaxon
Number of Rings5Chemaxon
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/MSsplash10-001i-0009000000-57ada7dbd0aef3d70d1f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0009000000-fa04d324b692b4febf1d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0009000000-a94050d5becc92f56e88
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0029000000-c192f1c218c854f83025
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0019000000-d4456927b39b49064a6e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0039000000-00c36518beacf777f84d
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:57 / Updated at December 01, 2022 11:29