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
Structure for Pexmetinib (DB16294)
- Weight
- Average: 556.642
Monoisotopic: 556.25981711 - Chemical Formula
- C31H33FN6O3
- Synonyms
- Pexmetinib
- External IDs
- ARRY-614
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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 outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
- External Links
- ChemSpider
- 32702049
- ChEMBL
- CHEMBL3991932
- ZINC
- ZINC000041747181
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Myelodysplastic Syndrome 2 1, 2 Recruiting Treatment Melanoma / Non-Small Cell Lung Cancer (NSCLC) / Renal Cell Carcinoma (RCC) / 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
Property Value Source Water Solubility 0.00512 mg/mL ALOGPS logP 5.41 ALOGPS logP 5.84 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 12.59 Chemaxon pKa (Strongest Basic) 2.01 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 106.23 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 168.04 m3·mol-1 Chemaxon Polarizability 60.33 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - 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