NAV

Ravoxertinib

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

Identification

Generic Name
Ravoxertinib
DrugBank Accession Number
DB15281
Background

Ravoxertinib is under investigation in clinical trial NCT01875705 (A Dose-Escalation Study of GDC-0994 in Patients With Locally Advanced or Metastatic Solid Tumors).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 440.86
Monoisotopic: 440.1163797
Chemical Formula
C21H18ClFN6O2
Synonyms
  • Ravoxertinib
External IDs
  • GDC-0994
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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
R6AXV96CRH
CAS number
1453848-26-4
InChI Key
RZUOCXOYPYGSKL-GOSISDBHSA-N
InChI
InChI=1S/C21H18ClFN6O2/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14/h2-11,18,30H,12H2,1H3,(H,24,26,27)/t18-/m1/s1
IUPAC Name
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-{2-[(1-methyl-1H-pyrazol-5-yl)amino]pyrimidin-4-yl}-1,2-dihydropyridin-2-one
SMILES
CN1N=CC=C1NC1=NC=CC(=N1)C1=CC(=O)N(C=C1)[C@H](CO)C1=CC(F)=C(Cl)C=C1

References

General References
Not Available
ChemSpider
32501977
BindingDB
120095
ChEMBL
CHEMBL3544964
ZINC
ZINC000144904566
PDBe Ligand
6QB
PDB Entries
5k4i / 5k4j / 6oph

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedOtherSolid Tumors1
1CompletedTreatmentNon-Small Cell Lung Cancer, Metastatic Colorectal Cancer, Metastatic Non Small Cell Lung Cancer, Metastatic Cancers, Melanoma1

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 Solubility0.0375 mg/mLALOGPS
logP2.89ALOGPS
logP2.7Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)12.2Chemaxon
pKa (Strongest Basic)3.05Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area96.17 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity125.8 m3·mol-1Chemaxon
Polarizability43.59 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-0006-0000900000-89b6c8c23ed74af994b3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01bc-0231900000-7fbde0ab6208d3fea656
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0079-0001900000-e64b8dce20072d3ab842
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-002o-1194200000-28df04fd111cd14b4c8c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05mn-4009700000-750c1c32c13b8d725634
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9105200000-8488259b6da22b4518ff
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 15:08 / Updated at February 21, 2021 18:55