NAV

Avutometinib

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

Identification

Generic Name
Avutometinib
DrugBank Accession Number
DB15254
Background

Avutometinib (RO-5126766 free base) is under investigation in clinical trial NCT03875820 (Phase I Trial of VS-6063 and RO5126766.).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 471.46
Monoisotopic: 471.101268037
Chemical Formula
C21H18FN5O5S
Synonyms
  • N-(3-fluoro-4-((4-methyl-2-oxo-7-((pyrimidin-2-yl)oxy)-2H-1-benzopyran-3-yl)methyl)pyridin-2-yl)-N'-methylsulfuric diamide
  • RO-5126766 free base
  • Sulfamide, N-(3-fluoro-4-((4-methyl-2-oxo-7-(2-pyrimidinyloxy)-2H-1-benzopyran-3-yl)methyl)-2-pyridinyl)-N'-methyl-
External IDs
  • CH-5126766
  • CH5126766
  • CKI-27
  • R-7304
  • RG-7304
  • RO-5126766
  • VS-6766
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
D0D4252V97
CAS number
946128-88-7
InChI Key
LMMJFBMMJUMSJS-UHFFFAOYSA-N
InChI
InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27)
IUPAC Name
3-({3-fluoro-2-[(methylsulfamoyl)amino]pyridin-4-yl}methyl)-4-methyl-7-(pyrimidin-2-yloxy)-2H-chromen-2-one
SMILES
CNS(=O)(=O)NC1=C(F)C(CC2=C(C)C3=C(OC2=O)C=C(OC2=NC=CC=N2)C=C3)=CC=N1

References

General References
Not Available
ChemSpider
17623621
BindingDB
50010462
ChEBI
78825
ChEMBL
CHEMBL3264002
ZINC
ZINC000068247388
PDBe Ligand
CHU
Wikipedia
Avutometinib
PDB Entries
3wig / 7m0z / 7mfd

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3RecruitingTreatmentLow Grade Serous Ovarian Cancer1
2Active Not RecruitingTreatmentMetastatic Uveal Melanoma1
2CompletedTreatmentKRAS Activating Mutation / Non-Small Cell Lung Cancer (NSCLC)1
2RecruitingTreatmentCervical Cancer / High-grade Serous Ovarian Carcinoma (HGSOC) / Mucinous Ovarian Cancer / Solid Tumors / Uterine Endometrial Cancer1
2RecruitingTreatmentLow-grade Serous Ovarian Carcinoma (LGSOC) / Ovarian 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 Solubility0.0177 mg/mLALOGPS
logP2.52ALOGPS
logP1.97Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)9Chemaxon
pKa (Strongest Basic)0.97Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area132.4 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity116.46 m3·mol-1Chemaxon
Polarizability44.88 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-00di-0000900000-a818229f2376f76106bc
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-3012900000-2002f0c0a756ad2179f7
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-5000900000-8a7f296e533a2046d5c9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-5015900000-6d0dd0d80d9d63519b76
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03ml-0029400000-3dc67b89ac3fec3c70ea
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-5119700000-1efcba74950b78467a49
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 15:05 / Updated at February 03, 2023 08:02