LY2828360
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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
- LY2828360
- DrugBank Accession Number
- DB16074
- Background
LY2828360 is under investigation in clinical trial NCT01319929 (A Study of LY2828360 in Patients With Osteoarthritic Knee Pain).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 426.95
Monoisotopic: 426.1934872 - Chemical Formula
- C22H27ClN6O
- Synonyms
- Not Available
- External IDs
- LY-2828360
- LY2828360
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
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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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- O12H7VFU6P
- CAS number
- 1231220-79-3
- InChI Key
- UCMNDPDJRSEZPL-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H27ClN6O/c1-15-24-21(28-11-9-27(2)10-12-28)19-22(25-15)29(16-7-13-30-14-8-16)20(26-19)17-5-3-4-6-18(17)23/h3-6,16H,7-14H2,1-2H3
- IUPAC Name
- 8-(2-chlorophenyl)-2-methyl-6-(4-methylpiperazin-1-yl)-9-(oxan-4-yl)-9H-purine
- SMILES
- CN1CCN(CC1)C1=C2N=C(N(C3CCOCC3)C2=NC(C)=N1)C1=CC=CC=C1Cl
References
- General References
- Not Available
- External Links
- ChemSpider
- 31104907
- BindingDB
- 50006250
- ChEMBL
- CHEMBL3139186
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Other Osteoarthritis of the Knee 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 0.138 mg/mL ALOGPS logP 3.15 ALOGPS logP 3.66 Chemaxon logS -3.5 ALOGPS pKa (Strongest Basic) 7.49 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 59.31 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 130.28 m3·mol-1 Chemaxon Polarizability 47.1 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0000900000-01ff5c9f1a4c1f1d8c26 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0000900000-967f5e031f9c385f0fd4 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0001900000-a23b5712392d75222df5 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-2003900000-085395b56e3ff293ab12 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0019000000-28919468ba6621f2c27b Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9005100000-a898defe2d2914c53116 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 15, 2020 18:04 / Updated at December 20, 2020 03:36