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Merestinib
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Merestinib
- Accession Number
- DB12381
- Description
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
Structure for Merestinib (DB12381)
- Weight
- Average: 552.5309
Monoisotopic: 552.17214501 - Chemical Formula
- C30H22F2N6O3
- Synonyms
- Not Available
- External IDs
- LY-2801653
- LY2801653
Pharmacology
- Indication
- Not Available
- Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More- 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
Learn about our commercial Adverse Effects data.
Learn More- Toxicity
- Not Available
- Affected organisms
- 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 Unlock Additional DataDarbepoetin 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. Additional Data Available- Extended DescriptionExtended Description
Extended description of the mechanism of action and particular properties of each drug interaction.
Learn more - Severity
- Evidence Level
- ActionAction
An effect category for each drug interaction. Know how this interaction affects the subject drug.
Learn more
- Food Interactions
- Not Available
Products
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
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
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Active Not Recruiting Treatment Biliary Tract Cancer / Cancer, Advanced / Metastatic Cancers 1 2 Active Not Recruiting Treatment Non-Small Cell Lung Carcinoma (NSCLC) / Tumors, Solid 1 1 Active Not Recruiting Treatment Breast Cancer (HR+HER2-) / Cutaneous Melanoma / Malignant Neoplasm of Pancreas / Microsatellite Instability-High (MSI-H) Solid Tumors / Tumors, Solid 1 1 Completed Not Available Healthy Volunteers 2 1 Completed Basic Science Healthy Volunteers 1 1 Completed Treatment Biliary Tract Carcinoma / Cancer, Advanced / Cholangiocarcinomas / Gall Bladder Carcinoma / Metastatic Cancers / Non-Hodgkin's Lymphoma (NHL) / Tumors, Solid 1 1 Completed Treatment Cancer, Advanced / Colorectal Cancers / Mantle Cell Lymphoma (MCL) 1 1 Completed Treatment Malignancies 1 1 Completed Treatment Refractory Adult Acute Myeloid Leukemia / Relapsed Adult Acute Myeloid Leukemia 1 1 Terminated Treatment Bone Metastases / Breast Cancer 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) 13.09 ChemAxon pKa (Strongest Basic) 1.85 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 on October 20, 2016 16:09 / Updated on June 12, 2020 10:53
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