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

Identification

Generic Name
Pexmetinib
DrugBank Accession Number
DB16294
Background

Pexmetinib is under investigation in clinical trial NCT04074967 (Study of ARRY-614 Plus Either Nivolumab or Ipilimumab).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 556.642
Monoisotopic: 556.25981711
Chemical Formula
C31H33FN6O3
Synonyms
  • Pexmetinib
External IDs
  • ARRY-614

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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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
3750D0U8B5
CAS number
945614-12-0
InChI Key
LNMRSSIMGCDUTP-UHFFFAOYSA-N
InChI
InChI=1S/C31H33FN6O3/c1-20-5-8-24(9-6-20)38-29(17-28(36-38)31(2,3)4)35-30(40)33-18-22-15-23(32)7-12-27(22)41-25-10-11-26-21(16-25)19-34-37(26)13-14-39/h5-12,15-17,19,39H,13-14,18H2,1-4H3,(H2,33,35,40)
IUPAC Name
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-[(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-indazol-5-yl]oxy}phenyl)methyl]urea
SMILES
CC1=CC=C(C=C1)N1N=C(C=C1NC(=O)NCC1=CC(F)=CC=C1OC1=CC2=C(C=C1)N(CCO)N=C2)C(C)(C)C

References

General References
Not Available
ChemSpider
32702049
ChEMBL
CHEMBL3991932
ZINC
ZINC000041747181

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentMyelodysplastic Syndromes (MDS)2
1, 2RecruitingTreatmentMelanoma / Non-Small Cell Lung Carcinoma (NSCLC) / Renal Cell Carcinoma / Solid Tumors / Squamous Cell Carcinoma of the Head and Neck (SCCHN)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 Solubility0.00512 mg/mLALOGPS
logP5.41ALOGPS
logP5.84ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)12.59ChemAxon
pKa (Strongest Basic)2.01ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area106.23 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity168.04 m3·mol-1ChemAxon
Polarizability60.33 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at December 15, 2020 18:18 / Updated at February 21, 2021 18:55