Merestinib
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
Structure for Merestinib (DB12381)
- Weight
- Average: 552.5309
Monoisotopic: 552.17214501 - Chemical Formula
- C30H22F2N6O3
- Synonyms
- Merestinib
- External IDs
- LY-2801653
- LY2801653
Pharmacology
- Indication
Not Available
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- 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
Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our 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. 
Improve patient outcomesBuild effective decision support tools with the industry’s most comprehensive drug-drug interaction checker.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 / Cancer, Advanced / Metastatic Cancers 1 2 Active Not Recruiting Treatment Non-Small Cell Lung Carcinoma (NSCLC) / Tumors, Solid 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 / 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, Cancer / 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 22:09 / Updated on February 21, 2021 18:53