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

Identification

Generic Name
MK-886
DrugBank Accession Number
DB16739
Background

MK-886 is an experimental inhibitor of leukotriene synthesis.

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 472.08
Monoisotopic: 471.1998782
Chemical Formula
C27H34ClNO2S
Synonyms
Not Available

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UArachidonate 5-lipoxygenase-activating protein
inhibitor
Humans
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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
080626SQ8C
CAS number
118414-82-7
InChI Key
QAOAOVKBIIKRNL-UHFFFAOYSA-N
InChI
InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
IUPAC Name
3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid
SMILES
CC(C)C1=CC=C2N(CC3=CC=C(Cl)C=C3)C(CC(C)(C)C(O)=O)=C(SC(C)(C)C)C2=C1

References

General References
Not Available
ChemSpider
2885052
BindingDB
50006805
ChEBI
75390
ChEMBL
CHEMBL29097
ZINC
ZINC000001536875
PDBe Ligand
QY7
Wikipedia
MK-886
PDB Entries
6vgi

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.000573 mg/mLALOGPS
logP7.21ALOGPS
logP8.19Chemaxon
logS-5.9ALOGPS
pKa (Strongest Acidic)4.42Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area42.23 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity137.38 m3·mol-1Chemaxon
Polarizability53.28 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Targets

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Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Protein n-terminus binding
Specific Function
Required for leukotriene biosynthesis by ALOX5 (5-lipoxygenase). Anchors ALOX5 to the membrane. Binds arachidonic acid, and could play an essential role in the transfer of arachidonic acid to ALOX5...
Gene Name
ALOX5AP
Uniprot ID
P20292
Uniprot Name
Arachidonate 5-lipoxygenase-activating protein
Molecular Weight
18156.96 Da
References
  1. Sampson AP: FLAP inhibitors for the treatment of inflammatory diseases. Curr Opin Investig Drugs. 2009 Nov;10(11):1163-72. [Article]

Drug created at November 04, 2021 17:49 / Updated at May 04, 2022 16:51