MK-7145

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

Identification

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Name
MK-7145
Accession Number
DB11968
Type
Small Molecule
Groups
Investigational
Description

MK-7145 has been used in trials studying the treatment of Hypertension and Renal Insufficiency.

Structure
Thumb
Synonyms
Not Available
Categories
Not Available
UNII
M371870BYL
CAS number
1255204-84-2
Weight
Average: 466.534
Monoisotopic: 466.210386694
Chemical Formula
C26H30N2O6
InChI Key
OCKGFTQIICXDQW-ZEQRLZLVSA-N
InChI
InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1
IUPAC Name
5-[(1R)-1-hydroxy-2-{4-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydro-2-benzofuran-5-yl)ethyl]piperazin-1-yl}ethyl]-4-methyl-1,3-dihydro-2-benzofuran-1-one
SMILES
CC1=C2COC(=O)C2=CC=C1[C@@H](O)CN1CCN(C[C@H](O)C2=C(C)C3=C(C=C2)C(=O)OC3)CC1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
59568713
PubChem Substance
347828292
ChemSpider
28424179
BindingDB
155921
ChEMBL
CHEMBL3696475

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHigh Blood Pressure (Hypertension)1
1TerminatedTreatmentHeart Failure / Impaired Renal Function1
1WithdrawnTreatmentImpaired Renal Function1

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 Solubility0.327 mg/mLALOGPS
logP1.33ALOGPS
logP2.36ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)13.3ChemAxon
pKa (Strongest Basic)7.27ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area99.54 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity128.43 m3·mol-1ChemAxon
Polarizability49.95 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Isocoumarans
Sub Class
Isobenzofuranones
Direct Parent
Phthalides
Alternative Parents
N-alkylpiperazines / Aralkylamines / Benzenoids / Trialkylamines / Secondary alcohols / Lactones / Carboxylic acid esters / Amino acids and derivatives / 1,2-aminoalcohols / Oxacyclic compounds
show 4 more
Substituents
Phthalide / N-alkylpiperazine / Aralkylamine / 1,4-diazinane / Piperazine / Benzenoid / 1,2-aminoalcohol / Amino acid or derivatives / Carboxylic acid ester / Lactone
show 16 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:06 / Updated on June 04, 2019 07:29