NAV

MK-0354

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

Identification

Generic Name
MK-0354
DrugBank Accession Number
DB05939
Background

MK-0354, is an orally administered drug candidate under development by Merck for the treatment of atherosclerosis and related disorders. It targets G protein-coupled receptor, or GPCR, that have the potential to regulate plasma lipid profiles, including HDL, or the good cholesterol, similar to the therapeutic action of niacin.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 176.183
Monoisotopic: 176.081044282
Chemical Formula
C7H8N6
Synonyms
Not Available

Pharmacology

Indication

Investigated for use/treatment in atherosclerosis.

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UG-protein coupled estrogen receptor 1Not AvailableHumans
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
4U62D8JYIQ
CAS number
851776-28-8
InChI Key
LTQYSJKGRPGMPO-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N6/c1-2-4-5(3-1)8-9-6(4)7-10-12-13-11-7/h1-3H2,(H,8,9)(H,10,11,12,13)
IUPAC Name
5-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}-2H-1,2,3,4-tetrazole
SMILES
C1CC2=C(C1)C(=NN2)C1=NNN=N1

References

General References
  1. Insel PA, Head BP, Patel HH, Roth DM, Bundey RA, Swaney JS: Compartmentation of G-protein-coupled receptors and their signalling components in lipid rafts and caveolae. Biochem Soc Trans. 2005 Nov;33(Pt 5):1131-4. [Article]
ChemSpider
9334721
BindingDB
50273099
ChEMBL
CHEMBL456145
ZINC
ZINC000038312374
Wikipedia
G_protein-coupled_receptor

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility7.21 mg/mLALOGPS
logP0.6ALOGPS
logP1.33Chemaxon
logS-1.4ALOGPS
pKa (Strongest Acidic)5.26Chemaxon
pKa (Strongest Basic)0.82Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area83.14 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity59.65 m3·mol-1Chemaxon
Polarizability17.27 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
Not Available

Targets

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Details1. G-protein coupled estrogen receptor 1
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Steroid hormone binding
Specific Function
G-protein coupled estrogen receptor that binds to 17-beta-estradiol (E2) with high affinity, leading to rapid and transient activation of numerous intracellular signaling pathways. Stimulates cAMP ...
Gene Name
GPER1
Uniprot ID
Q99527
Uniprot Name
G-protein coupled estrogen receptor 1
Molecular Weight
42247.12 Da

Drug created at November 18, 2007 18:28 / Updated at June 12, 2020 16:52