NAV

MK-1064

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
MK-1064
DrugBank Accession Number
DB15028
Background

MK-1064 is under investigation in clinical trial NCT02549014 (A Single Dose Study of the Safety, Pharmacokinetics and Pharmacodynamics of MK-1064 (MK-1064-001)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 461.91
Monoisotopic: 461.1254672
Chemical Formula
C24H20ClN5O3
Synonyms
Not Available
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
O812716S9E
CAS number
1207253-08-4
InChI Key
CKTWQGHVNRYNCM-UHFFFAOYSA-N
InChI
InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31)
IUPAC Name
5'-chloro-N-[(5,6-dimethoxypyridin-2-yl)methyl]-6-(pyridin-2-yl)-[3,3'-bipyridine]-5-carboxamide
SMILES
COC1=CC=C(CNC(=O)C2=CC(=CN=C2C2=NC=CC=C2)C2=CN=CC(Cl)=C2)N=C1OC

References

General References
Not Available
ChemSpider
35519828
BindingDB
50028059
ChEMBL
CHEMBL3338866
ZINC
ZINC000068201066

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentPharmacokinetics1
1CompletedTreatmentPolysomnography1

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 Solubility0.00741 mg/mLALOGPS
logP3.27ALOGPS
logP2.93Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)13.23Chemaxon
pKa (Strongest Basic)2.97Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area99.12 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity123.07 m3·mol-1Chemaxon
Polarizability47.35 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-03di-0000900000-79fb0f6e276c3a2358d6
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-2342900000-da4ca26479f146bd2e8a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0020900000-14d5107f79dbd1821609
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9100000000-437af9cfcc40ba274572
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-02ta-0290300000-ee5e1fc08e0e32966de3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9341000000-9861d13a831c1e9d3a08
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:43 / Updated at June 12, 2020 16:53