This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Merestinib
- DrugBank Accession Number
- DB12381
- Background
Merestinib has been used in trials studying the treatment of Cancer, Solid Tumor, Advanced cancer, ColoRectal Cancer, and Metastatic Cancer, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 552.5309
Monoisotopic: 552.17214501 - Chemical Formula
- C30H22F2N6O3
- Synonyms
- Merestinib
- External IDs
- LY-2801653
- LY2801653
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.
- 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.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.
Drug Interaction Integrate drug-drug
interactions in your softwareDarbepoetin alfa The risk or severity of Thrombosis can be increased when Darbepoetin alfa is combined with Merestinib. Erythropoietin The risk or severity of Thrombosis can be increased when Erythropoietin is combined with Merestinib. Methoxy polyethylene glycol-epoetin beta The risk or severity of Thrombosis can be increased when Methoxy polyethylene glycol-epoetin beta is combined with Merestinib. Peginesatide The risk or severity of Thrombosis can be increased when Peginesatide is combined with Merestinib. Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Anilides
- Direct Parent
- Aromatic anilides
- Alternative Parents
- Diarylethers / Indazoles / Nicotinamides / Phenol ethers / Phenoxy compounds / Pyridinones / Methylpyridines / Fluorobenzenes / Dihydropyridines / Aryl fluorides show 10 more
- Substituents
- Aromatic anilide / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Azole / Benzopyrazole / Carboxamide group / Carboxylic acid derivative / Diaryl ether show 27 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 5OGS5K699E
- CAS number
- 1206799-15-6
- InChI Key
- QHADVLVFMKEIIP-UHFFFAOYSA-N
- InChI
- InChI=1S/C30H22F2N6O3/c1-17-3-9-23(30(40)38(17)22-7-4-20(31)5-8-22)29(39)36-21-6-10-27(25(32)12-21)41-28-11-18-16-35-37(2)26(18)13-24(28)19-14-33-34-15-19/h3-16H,1-2H3,(H,33,34)(H,36,39)
- IUPAC Name
- N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
- SMILES
- CN1N=CC2=CC(OC3=C(F)C=C(NC(=O)C4=CC=C(C)N(C4=O)C4=CC=C(F)C=C4)C=C3)=C(C=C12)C1=CNN=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 44603533
- PubChem Substance
- 347828629
- ChemSpider
- 29361338
- BindingDB
- 50172078
- ChEMBL
- CHEMBL3545307
- ZINC
- ZINC000095926668
- PDBe Ligand
- L1X
- Wikipedia
- Merestinib
- PDB Entries
- 4eev / 7aay
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Active Not Recruiting Treatment Biliary Tract Cancer (BTC) / Cancer, Advanced / Metastatic Cancers 1 2 Active Not Recruiting Treatment Non-Small Cell Lung Carcinoma (NSCLC) / Solid Tumors 1 1 Active Not Recruiting Treatment Cutaneous Melanoma / Hormone Receptor Positive (HR+), HER2-negative Breast Cancer / Malignant Neoplasm of Pancreas / Microsatellite Instability-High (MSI-H) Solid Tumors / Solid Tumors 1 1 Completed Not Available Healthy Subjects (HS) 2 1 Completed Basic Science Healthy Subjects (HS) 1 1 Completed Treatment Acute Myeloid Leukemia, Relapsed, Adult / Refractory Adult Acute Myeloid Leukemia 1 1 Completed Treatment Biliary Tract Carcinoma / Cancer, Advanced / Carcinoma of Gallbladder / Cholangiocarcinoma / Metastatic Cancers / Non-Hodgkin's Lymphoma (NHL) / Solid Tumors 1 1 Completed Treatment Cancer 1 1 Completed Treatment Cancer, Advanced / Colorectal Cancer / Mantle Cell Lymphoma (MCL) 1 1 Terminated Treatment Breast Cancer / Metastases to bone 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 0.00246 mg/mL ALOGPS logP 4.75 ALOGPS logP 4.31 ChemAxon logS -5.4 ALOGPS pKa (Strongest Acidic) 13.03 ChemAxon pKa (Strongest Basic) 2.29 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 4 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 105.14 Å2 ChemAxon Rotatable Bond Count 6 ChemAxon Refractivity 163.62 m3·mol-1 ChemAxon Polarizability 55.09 Å3 ChemAxon Number of Rings 6 ChemAxon Bioavailability 1 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 22:09 / Updated at February 21, 2021 18:53