Omecamtiv Mecarbil
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
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
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AMyosin-binding protein C, cardiac-type modulatorHumans - 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
- ATC Codes
- C01CX10 — Omecamtiv mecarbil
- 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 / 8qyu
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data3 Completed Treatment Heart Failure 1 somestatus stop reason just information to hide 3 Completed Treatment Hearth Failure With Reduced Ejection Fraction (HFrEF) 1 somestatus stop reason just information to hide 3 Withdrawn Treatment Chronic Heart Failure With Reduced Ejection Fraction (HFrEF) 1 somestatus stop reason just information to hide 2 Completed Treatment Angina Pectoris / Heart Failure / Myocardial Ischemia 1 somestatus stop reason just information to hide 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 somestatus stop reason just information to hide
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 splash10-0udi-0012900000-29dabe05912aba082f6a Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-053r-0529100000-5096a3da9cbfb1442731 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0pb9-0945400000-b94568bdcd3898cd4615 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0536-0393000000-f6c3d82bfef4678b83e8 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0py0-1968000000-d4047b80ae97532c6ebe Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0pb9-2982000000-d854592df85c0c2deb9c Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 191.4553 predictedDeepCCS 1.0 (2019) [M+H]+ 193.81331 predictedDeepCCS 1.0 (2019) [M+Na]+ 200.32637 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsMyosin-binding protein C, cardiac-type
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Modulator
- General Function
- Thick filament-associated protein located in the crossbridge region of vertebrate striated muscle a bands. In vitro it binds MHC, F-actin and native thin filaments, and modifies the activity of actin-activated myosin ATPase. It may modulate muscle contraction or may play a more structural role
- Specific Function
- actin binding
- Gene Name
- MYBPC3
- Uniprot ID
- Q14896
- Uniprot Name
- Myosin-binding protein C, cardiac-type
- Molecular Weight
- 140761.365 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at October 20, 2016 20:50 / Updated at October 03, 2024 04:25