LY-2624803
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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
- LY-2624803
- DrugBank Accession Number
- DB15092
- Background
LY-2624803 is under investigation in clinical trial NCT01236105 (Effect of Activated Charcoal and Time of Dose on the Pharmacokinetics of LY2624803 in Healthy Subject).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 379.46
Monoisotopic: 379.189591677 - Chemical Formula
- C22H25N3O3
- Synonyms
- Not Available
- External IDs
- LY-2624803
- LY2624803
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
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as dibenzoxazepines. These are compounds containing a dibenzoxazepine moiety, which consists of two benzene connected by an oxazepine ring.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzoxazepines
- Sub Class
- Dibenzoxazepines
- Direct Parent
- Dibenzoxazepines
- Alternative Parents
- Diarylethers / N-alkylpiperazines / Imidolactams / Benzenoids / Trialkylamines / Amino acids / Propargyl-type 1,3-dipolar organic compounds / Oxacyclic compounds / Monocarboxylic acids and derivatives / Carboxylic acids show 5 more
- Substituents
- 1,4-diazinane / Amidine / Amine / Amino acid / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxylic acid show 20 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 63J9EQ81YC
- CAS number
- 879409-35-5
- InChI Key
- UEFWDVMEDFCHGW-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H25N3O3/c1-22(2,21(26)27)15-24-11-13-25(14-12-24)20-16-7-3-5-9-18(16)28-19-10-6-4-8-17(19)23-20/h3-10H,11-15H2,1-2H3,(H,26,27)
- IUPAC Name
- 2,2-dimethyl-3-(4-{2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-10-yl}piperazin-1-yl)propanoic acid
- SMILES
- CC(C)(CN1CCN(CC1)C1=NC2=CC=CC=C2OC2=CC=CC=C12)C(O)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 9741835
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Primary Insomnia / Secondary Insomnia 1 1 Completed Not Available Sleep Initiation and Maintenance Disorders 1 1 Completed Not Available Transient Insomnia 1 1 Completed Basic Science Insomnia 1 1 Terminated Basic Science Insomnia 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 0.146 mg/mL ALOGPS logP 3.08 ALOGPS logP 0.94 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 3.13 Chemaxon pKa (Strongest Basic) 8.36 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 65.37 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 110.17 m3·mol-1 Chemaxon Polarizability 41.39 Å3 Chemaxon Number of Rings 4 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 splash10-001i-0009000000-ee65dd95320b68ac4554 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0009000000-6533a81efe5a22e6fea3 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0009000000-6d77d975094c18bb869e Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-003u-0219000000-de2d9051a2d1a8bc0779 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0fkc-0294000000-6e6c5fc6072966bc35ed Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-000e-1981000000-9a105ab9ee83ecac495b 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 May 20, 2019 14:49 / Updated at June 12, 2020 16:53