LY-2624803

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

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
ChemSpider
9741835

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentPrimary Insomnia / Secondary Insomnia1
1CompletedNot AvailableSleep Initiation and Maintenance Disorders1
1CompletedNot AvailableTransient Insomnia1
1CompletedBasic ScienceInsomnia1
1TerminatedBasic ScienceInsomnia1

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
PropertyValueSource
Water Solubility0.146 mg/mLALOGPS
logP3.08ALOGPS
logP0.94Chemaxon
logS-3.4ALOGPS
pKa (Strongest Acidic)3.13Chemaxon
pKa (Strongest Basic)8.36Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area65.37 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity110.17 m3·mol-1Chemaxon
Polarizability41.39 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0009000000-ee65dd95320b68ac4554
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0009000000-6533a81efe5a22e6fea3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0009000000-6d77d975094c18bb869e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-003u-0219000000-de2d9051a2d1a8bc0779
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fkc-0294000000-6e6c5fc6072966bc35ed
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000e-1981000000-9a105ab9ee83ecac495b
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:49 / Updated at June 12, 2020 16:53