MK-8666

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

Identification

Generic Name
MK-8666
DrugBank Accession Number
DB14937
Background

MK-8666 is under investigation in clinical trial NCT01971554 (Safety, Tolerability, Pharmacodynamics, and Pharmacokinetics of MK-8666 in Participants With Type 2 Diabetes Mellitus (MK-8666-003)).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 521.63
Monoisotopic: 521.187208896
Chemical Formula
C29H31NO6S
Synonyms
Not Available

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Biphenyls and derivatives
Direct Parent
Biphenyls and derivatives
Alternative Parents
m-Xylenes / Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Pyridines and derivatives / Cyclopropanecarboxylic acids / Sulfones / Heteroaromatic compounds / Monocarboxylic acids and derivatives / Carboxylic acids
show 5 more
Substituents
Alkyl aryl ether / Aromatic heteropolycyclic compound / Azacycle / Biphenyl / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Cyclopropanecarboxylic acid / Cyclopropanecarboxylic acid or derivatives / Ether
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
11612L5SPI
CAS number
1544739-75-4
InChI Key
CODQKEMYZZKQAE-QPVYNBJUSA-N
InChI
InChI=1S/C29H31NO6S/c1-17-10-22(35-8-5-9-37(3,33)34)11-18(2)26(17)20-7-4-6-19(12-20)16-36-25-14-21-13-23-27(24(21)15-30-25)28(23)29(31)32/h4,6-7,10-12,14-15,23,27-28H,5,8-9,13,16H2,1-3H3,(H,31,32)/t23-,27-,28+/m1/s1
IUPAC Name
(2S,3S,4R)-8-{[4'-(3-methanesulfonylpropoxy)-2',6'-dimethyl-[1,1'-biphenyl]-3-yl]methoxy}-9-azatricyclo[4.4.0.0^{2,4}]deca-1(6),7,9-triene-3-carboxylic acid
SMILES
CC1=CC(OCCCS(C)(=O)=O)=CC(C)=C1C1=CC(COC2=CC3=C(C=N2)[C@H]2[C@@H](C3)[C@@H]2C(O)=O)=CC=C1

References

General References
Not Available
ChemSpider
61712482
PDBe Ligand
MK6
PDB Entries
5tzr / 5tzy

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentType 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 Solubility0.000743 mg/mLALOGPS
logP4.32ALOGPS
logP3.77Chemaxon
logS-5.8ALOGPS
pKa (Strongest Acidic)3.67Chemaxon
pKa (Strongest Basic)2.44Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area102.79 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity142.13 m3·mol-1Chemaxon
Polarizability57.84 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
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/MSsplash10-00c0-9232020000-6d703611a8279b8b0c47
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00ba-9205370000-152a37db15e5a4b215da
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0zfr-0019500000-28f43053bde7ef4d5621
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f89-0109400000-cebf56abbe4e564a7eb1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-1149300000-7f3c0324d2395a732c40
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0irr-5509200000-385b14a0eb7ff3c6ad76
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:36 / Updated at June 12, 2020 16:53