This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Omecamtiv Mecarbil
- DrugBank Accession Number
- DB11816
- Background
Omecamtiv Mecarbil has been used in trials studying the treatment and basic science of Heart Failure, Echocardiogram, Pharmacokinetics, Chronic Heart Failure, and History of Chronic Heart Failure, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 401.442
Monoisotopic: 401.186317816 - Chemical Formula
- C20H24FN5O3
- Synonyms
- Omecamtiv Mecarbil
- External IDs
- CK-1827452
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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- N-phenylureas
- Direct Parent
- N-phenylureas
- Alternative Parents
- Piperazine carboxylic acids / Phenylmethylamines / Benzylamines / Aralkylamines / N-alkylpiperazines / Methylpyridines / Fluorobenzenes / Aryl fluorides / Methylcarbamates / Heteroaromatic compounds show 7 more
- Substituents
- 1,4-diazinane / Amine / Aralkylamine / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzylamine / Carbamic acid ester / Carbonyl group show 23 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 2M19539ERK
- CAS number
- 873697-71-3
- InChI Key
- RFUBTTPMWSKEIW-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27)
- IUPAC Name
- methyl 4-[(2-fluoro-3-{[(6-methylpyridin-3-yl)carbamoyl]amino}phenyl)methyl]piperazine-1-carboxylate
- SMILES
- COC(=O)N1CCN(CC2=C(F)C(NC(=O)NC3=CC=C(C)N=C3)=CC=C2)CC1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11689883
- PubChem Substance
- 347828163
- ChemSpider
- 9864610
- BindingDB
- 50348423
- ChEMBL
- CHEMBL1800955
- ZINC
- ZINC000038253214
- PDBe Ligand
- 2OW
- PDB Entries
- 4pa0 / 5n69
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Heart Failure 1 3 Completed Treatment Hearth Failure With Reduced Ejection Fraction (HFrEF) 1 3 Withdrawn Treatment Chronic Heart Failure With Reduced Ejection Fraction (HFrEF) 1 2 Completed Treatment Angina Pectoris / Heart Failure / Myocardial Ischemia 1 2 Completed Treatment Chronic Heart Failure (CHF) / Echocardiogram / History of Chronic Heart Failure / Left Ventricular Ejection Fraction / Modified Release Oral Formulation / Pharmacokinetics / Systolic Left Ventricular Dysfunction 1 2 Completed Treatment Heart Failure 3 2 Completed Treatment Hearth Failure With Reduced Ejection Fraction (HFrEF) 1 2 Terminated Treatment Heart Failure 1 2 Withdrawn Basic Science Heart Failure 1 1 Completed Treatment Healthy Subjects (HS) 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 0.142 mg/mL ALOGPS logP 2.05 ALOGPS logP 1.81 ChemAxon logS -3.4 ALOGPS pKa (Strongest Acidic) 10.31 ChemAxon pKa (Strongest Basic) 5.58 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 4 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 86.8 Å2 ChemAxon Rotatable Bond Count 5 ChemAxon Refractivity 109.19 m3·mol-1 ChemAxon Polarizability 40.95 Å3 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No 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 20:50 / Updated at February 21, 2021 18:53