MK-6186

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

Identification

Name
MK-6186
Accession Number
DB12999
Type
Small Molecule
Groups
Investigational
Description

MK6186 has been used in trials studying the treatment of HIV-1 Infection.

Structure
Thumb
Synonyms
Not Available
External IDs
MK6186
Categories
Not Available
UNII
K3978U665M
CAS number
1034474-19-5
Weight
Average: 435.27
Monoisotopic: 434.0449644
Chemical Formula
C21H12Cl2N6O
InChI Key
FZBAOOQVQXATRL-UHFFFAOYSA-N
InChI
InChI=1S/C21H12Cl2N6O/c22-13-6-12(9-24)7-14(8-13)30-20-16-10-26-29(19(16)4-3-17(20)23)11-18-15-2-1-5-25-21(15)28-27-18/h1-8,10H,11H2,(H,25,27,28)
IUPAC Name
3-chloro-5-{[5-chloro-1-({1H-pyrazolo[3,4-b]pyridin-3-yl}methyl)-1H-indazol-4-yl]oxy}benzonitrile
SMILES
ClC1=CC(OC2=C3C=NN(CC4=NNC5=NC=CC=C45)C3=CC=C2Cl)=CC(=C1)C#N

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

References

General References
Not Available
External Links
PubChem Compound
24988948
PubChem Substance
347829136
ChemSpider
28424190
ChEMBL
CHEMBL1939499
ZINC
ZINC000073240561

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedTreatmentHuman Immunodeficiency Virus Type 1 (HIV-1) Infection1

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 Solubility0.0225 mg/mLALOGPS
logP4.77ALOGPS
logP4.26ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)9.99ChemAxon
pKa (Strongest Basic)2.13ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area92.41 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity124.76 m3·mol-1ChemAxon
Polarizability40.96 Å3ChemAxon
Number of Rings5ChemAxon
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Ethers
Direct Parent
Diarylethers
Alternative Parents
Pyrazolopyridines / Indazoles / Phenoxy compounds / Phenol ethers / Benzonitriles / Chlorobenzenes / Pyridines and derivatives / Aryl chlorides / Pyrazoles / Heteroaromatic compounds
show 4 more
Substituents
Diaryl ether / Indazole / Benzopyrazole / Pyrazolopyridine / Phenoxy compound / Benzonitrile / Phenol ether / Halobenzene / Chlorobenzene / Aryl chloride
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 19:55 / Updated on March 01, 2020 21:23

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