NAV

MK-6325

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

Identification

Generic Name
MK-6325
DrugBank Accession Number
DB15249
Background

MK-6325 is under investigation in clinical trial NCT01329913 (Safety, Pharmacokinetics, and Pharmacodynamics of MK-6325 in Hepatitis C Virus (HCV) Infections (MK-6325-003)).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 821.0
Monoisotopic: 820.382948581
Chemical Formula
C42H56N6O9S
Synonyms
Not Available
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Pharmacology

Indication

Not Available

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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
59LD48P07K
CAS number
1263814-52-3
InChI Key
BLFKRFGLQFYXDF-WAZRELCSSA-N
InChI
InChI=1S/C42H56N6O9S/c1-41(20-21-41)58(53,54)47-39(51)42-24-27(42)14-8-4-3-5-9-16-32-38(50)48-25-29(23-34(48)36(49)46-42)56-37-31(43-30-19-18-28(55-2)22-33(30)44-37)15-10-6-7-12-26-13-11-17-35(26)57-40(52)45-32/h8,14,18-19,22,26-27,29,32,34-35H,3-7,9-13,15-17,20-21,23-25H2,1-2H3,(H,45,52)(H,46,49)(H,47,51)/b14-8+/t26-,27-,29-,32+,34+,35-,42-/m1/s1
IUPAC Name
(3R,20R,24R,28S,34E,36S,38R,41S)-9-methoxy-N-[(1-methylcyclopropyl)sulfonyl]-26,40,42-trioxo-4,25-dioxa-1,6,13,27,39-pentaazaheptacyclo[26.13.1.1^{3,41}.0^{5,14}.0^{7,12}.0^{20,24}.0^{36,38}]tritetraconta-5,7(12),8,10,13,34-hexaene-38-carboxamide
SMILES
COC1=CC2=C(C=C1)N=C1CCCCC[C@@H]3CCC[C@H]3OC(=O)N[C@H]3CCCCC\C=C\[C@@H]4C[C@]4(NC(=O)[C@@H]4C[C@H](CN4C3=O)OC1=N2)C(=O)NS(=O)(=O)C1(C)CC1

References

General References
Not Available
ChemSpider
58827937

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHepatitis C Virus (HCV) 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 Solubility0.0126 mg/mLALOGPS
logP3.67ALOGPS
logP4.74Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)3.75Chemaxon
pKa (Strongest Basic)1.79Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count10Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area195.22 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity211.78 m3·mol-1Chemaxon
Polarizability86.71 Å3Chemaxon
Number of Rings8Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-00di-0000001090-ada6dc50779f03ac7d70
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0000000290-85b032c15a61ead24390
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-3100006190-b6ab382509114951496f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-05fr-2000008090-e121359debb6effa01bb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000007360-15609b57b37867ccc7d3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kr-0000009330-d2ed77ff5246ca30b70a
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:04 / Updated at June 12, 2020 16:53