MK-3207
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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-3207
- DrugBank Accession Number
- DB12424
- Background
Mk3207 has been used in trials studying the treatment of Migraine and Migraine Disorders.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 557.602
Monoisotopic: 557.22384614 - Chemical Formula
- C31H29F2N5O3
- Synonyms
- Not Available
- External IDs
- MK 3207
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 dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Dipeptides
- Alternative Parents
- Phenylpiperazines / Alpha amino acids and derivatives / N-piperazineacetamides / Pyrrolopyridines / Indanes / N-arylamides / Aralkylamines / N-alkylpiperazines / Fluorobenzenes / Pyridines and derivatives show 12 more
- Substituents
- 1,4-diazinane / Alpha-amino acid or derivatives / Alpha-dipeptide / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle show 30 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 5C44M1QYCC
- CAS number
- 957118-49-9
- InChI Key
- AZAANWYREOQRFB-SETSBSEESA-N
- InChI
- InChI=1S/C31H29F2N5O3/c32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40/h3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40)/t25-,30+/m0/s1
- IUPAC Name
- 2-[(8R)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridine]-6-yl]acetamide
- SMILES
- FC1=CC(=CC(F)=C1)[C@@H]1CNC2(CCCC2)C(=O)N1CC(=O)NC1=CC=C2C[C@]3(CC2=C1)C(=O)NC1=C3C=CC=N1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 25019940
- PubChem Substance
- 347828667
- ChemSpider
- 24747385
- BindingDB
- 50356282
- ChEMBL
- CHEMBL1910936
- ZINC
- ZINC000043203371
Clinical Trials
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 0.0141 mg/mL ALOGPS logP 2.85 ALOGPS logP 4.08 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 11.74 Chemaxon pKa (Strongest Basic) 6.68 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 103.43 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 150.05 m3·mol-1 Chemaxon Polarizability 56.11 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 216.22224 predictedDeepCCS 1.0 (2019) [M+H]+ 218.07396 predictedDeepCCS 1.0 (2019) [M+Na]+ 223.67976 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:20 / Updated at June 12, 2020 16:53