MK-7145
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- MK-7145
- DrugBank Accession Number
- DB11968
- Background
MK-7145 has been used in trials studying the treatment of Hypertension and Renal Insufficiency.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 466.534
Monoisotopic: 466.210386694 - Chemical Formula
- C26H30N2O6
- Synonyms
- Not Available
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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Chemical TaxonomyProvided by Classyfire
- 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
- 1,2-aminoalcohol / 1,4-diazinane / Alcohol / Amine / Amino acid or derivatives / Aralkylamine / Aromatic alcohol / Aromatic heteropolycyclic compound / Azacycle / Benzenoid show 16 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- M371870BYL
- CAS number
- 1255204-84-2
- 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
References
- General References
- Not Available
- External Links
- PubChem Compound
- 59568713
- PubChem Substance
- 347828292
- ChemSpider
- 28424179
- BindingDB
- 155921
- ChEMBL
- CHEMBL3696475
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Hypertension 1 1 Terminated Treatment Heart Failure / Impaired Renal Function 1 1 Withdrawn Treatment Impaired Renal Function 1
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
Property Value Source Water Solubility 0.327 mg/mL ALOGPS logP 1.33 ALOGPS logP 2.36 Chemaxon logS -3.2 ALOGPS pKa (Strongest Acidic) 13.3 Chemaxon pKa (Strongest Basic) 7.27 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 99.54 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 128.43 m3·mol-1 Chemaxon Polarizability 49.95 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-000t-0000900000-e98e5c4d9967ebf21a76 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0000900000-63ddeaf74dec5392e1e5 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-007k-0000900000-0c22b31e74a84f6dd9e6 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00dj-0110900000-dd3ff7f15fb52e887348 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0100-0442900000-1b23697c6875ade5a1db Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0rt9-0797800000-e836893344c194a09220 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 204.27554 predictedDeepCCS 1.0 (2019) [M+H]+ 206.67113 predictedDeepCCS 1.0 (2019) [M+Na]+ 212.58365 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:06 / Updated at June 12, 2020 16:53