NAV

MK-0533

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

Identification

Generic Name
MK-0533
DrugBank Accession Number
DB15242
Background

MK-0533 is under investigation in clinical trial NCT00543959 (Efficacy and Tolerability of MK0533 in Patients With Type 2 Diabetes (0533-005)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 527.496
Monoisotopic: 527.155571986
Chemical Formula
C28H24F3NO6
Synonyms
Not Available
External IDs
  • MK0533
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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
J17152066B
CAS number
668455-28-5
InChI Key
STWITCBWQHTJFJ-XMMPIXPASA-N
InChI
InChI=1S/C28H24F3NO6/c1-4-24(27(34)35)37-20-7-5-6-18(14-20)32-16(2)25(26(33)17-8-10-19(36-3)11-9-17)22-13-12-21(15-23(22)32)38-28(29,30)31/h5-15,24H,4H2,1-3H3,(H,34,35)/t24-/m1/s1
IUPAC Name
(2R)-2-{3-[3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl]phenoxy}butanoic acid
SMILES
CC[C@@H](OC1=CC(=CC=C1)N1C(C)=C(C(=O)C2=CC=C(OC)C=C2)C2=CC=C(OC(F)(F)F)C=C12)C(O)=O

References

General References
Not Available
ChemSpider
9853263
BindingDB
50267991
ChEMBL
CHEMBL490029
ZINC
ZINC000049878561

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentType 2 Diabetes Mellitus1

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 Solubility0.000378 mg/mLALOGPS
logP5.4ALOGPS
logP7.3Chemaxon
logS-6.1ALOGPS
pKa (Strongest Acidic)3.78Chemaxon
pKa (Strongest Basic)-4.5Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area86.99 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity138.96 m3·mol-1Chemaxon
Polarizability51.64 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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-0000890000-058a408d87dbec5824a4
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0100910000-9e6c6265a4187e866a23
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001c-0503900000-31ecf829acaf482a101e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pbl-7000900000-9b0a0ea906fab917b06b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-3925600000-68359c21c53aff290b4b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-08gj-1009500000-aafc4c3daca178ebadf7
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:03 / Updated at June 12, 2020 16:53