NAV

Omecamtiv Mecarbil

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
3D
Similar Structures
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 rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug events
Improve clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events & improve clinical decision support.
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
Learn more
Improve decision support & research outcomes with our structured adverse effects data.
Learn more
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
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
PhaseStatusPurposeConditionsCount
3CompletedTreatmentHeart Failure1
3CompletedTreatmentHearth Failure With Reduced Ejection Fraction (HFrEF)1
3WithdrawnTreatmentChronic Heart Failure With Reduced Ejection Fraction (HFrEF)1
2CompletedTreatmentAngina Pectoris / Heart Failure / Myocardial Ischemia1
2CompletedTreatmentChronic Heart Failure (CHF) / Echocardiogram / History of Chronic Heart Failure / Left Ventricular Ejection Fraction / Modified Release Oral Formulation / Pharmacokinetics / Systolic Left Ventricular Dysfunction1
2CompletedTreatmentHeart Failure3
2CompletedTreatmentHearth Failure With Reduced Ejection Fraction (HFrEF)1
2TerminatedTreatmentHeart Failure1
2WithdrawnBasic ScienceHeart Failure1
1CompletedTreatmentHealthy 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
PropertyValueSource
Water Solubility0.142 mg/mLALOGPS
logP2.05ALOGPS
logP1.81ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)10.31ChemAxon
pKa (Strongest Basic)5.58ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area86.8 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity109.19 m3·mol-1ChemAxon
Polarizability40.95 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created at October 20, 2016 20:50 / Updated at February 21, 2021 18:53