MK-2206
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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-2206
- DrugBank Accession Number
- DB16828
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 407.477
Monoisotopic: 407.174610316 - Chemical Formula
- C25H21N5O
- Synonyms
- 1,2,4-Triazolo(3,4-f)(1,6)naphthyridin-3(2H)-one, 8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-
- 8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one
- MK-2206 free base
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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key MK-2206 dihydrochloride Q34I3E28IO 1032350-13-2 HWUHTJIKQZZBRA-UHFFFAOYSA-N MK-2206 monohydrochloride 4HA45S22ZZ 1032349-77-1 Not applicable
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 51HZG6MP1K
- CAS number
- 1032349-93-1
- InChI Key
- ULDXWLCXEDXJGE-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)
- IUPAC Name
- 8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-2H,3H-[1,2,4]triazolo[3,4-f]1,6-naphthyridin-3-one
- SMILES
- NC1(CCC1)C1=CC=C(C=C1)C1=NC2=C(C=C1C1=CC=CC=C1)C1=NNC(=O)N1C=C2
References
- General References
- Not Available
- External Links
- ChemSpider
- 24658140
- BindingDB
- 50313650
- ChEBI
- 67271
- ChEMBL
- CHEMBL1079175
- ZINC
- ZINC000036382821
- Wikipedia
- MK-2206
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Active Not Recruiting Treatment Non-Small Cell Lung Carcinoma / Small Cell Lung Cancer (SCLC) / Thymic Carcinoma 1 2 Active Not Recruiting Treatment Recurrent Prostate Carcinoma / Stage I Prostate Cancer AJCC v7 / Stage IIA Prostate Cancer AJCC v7 / Stage IIB Prostate Cancer AJCC v7 / Stage III Prostate Cancer AJCC v7 1 2 Completed Treatment Breast Cancer Stage IIIc / Breast Cancer, Stage IIIB / Carcinoma Breast Stage IV / Recurrent Breast Carcinoma 1 2 Completed Treatment Colorectal Neoplasms 1 2 Completed Treatment Lung Cancer 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 0.00226 mg/mL ALOGPS logP 3.67 ALOGPS logP 3.93 Chemaxon logS -5.3 ALOGPS pKa (Strongest Acidic) 9.93 Chemaxon pKa (Strongest Basic) 9.31 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 83.61 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 119.61 m3·mol-1 Chemaxon Polarizability 44.9 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No 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 splash10-0006-0009000000-56336e82638c4f1383c5 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4s-0009500000-0b3dccf1cc7cee621fd6 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0009000000-5a0bdafdd9c918bfe091 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-03dl-3009100000-dbe5d792978cd65d3c35 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0009000000-7cbd001c500f47a9dc60 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0005-2019000000-29bff16dac3f3f70777c 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]- 219.8468129 predictedDarkChem Lite v0.1.0 [M-H]- 189.9654 predictedDeepCCS 1.0 (2019) [M+H]+ 218.8162129 predictedDarkChem Lite v0.1.0 [M+H]+ 192.36098 predictedDeepCCS 1.0 (2019) [M+Na]+ 219.1369129 predictedDarkChem Lite v0.1.0 [M+Na]+ 198.36919 predictedDeepCCS 1.0 (2019)
Drug created at July 15, 2022 17:44 / Updated at December 13, 2022 10:46