LY-2456302

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
LY-2456302
DrugBank Accession Number
DB12341
Background

Ly2456302 has been used in trials studying the health services research and basic science of Anxiety Disorders and Alcohol Dependence.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 418.512
Monoisotopic: 418.20565628
Chemical Formula
C26H27FN2O2
Synonyms
Not Available
External IDs
  • JSPA-0658
  • JSPA0658
  • LY2456302

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Adverseeffects
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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.
DrugInteraction
AlfentanilThe therapeutic efficacy of Alfentanil can be decreased when used in combination with LY-2456302.
BenzhydrocodoneThe therapeutic efficacy of Benzhydrocodone can be decreased when used in combination with LY-2456302.
BuprenorphineThe therapeutic efficacy of Buprenorphine can be decreased when used in combination with LY-2456302.
ButorphanolThe therapeutic efficacy of Butorphanol can be decreased when used in combination with LY-2456302.
CodeineThe therapeutic efficacy of Codeine can be decreased when used in combination with LY-2456302.
DextropropoxypheneThe therapeutic efficacy of Dextropropoxyphene can be decreased when used in combination with LY-2456302.
DezocineThe therapeutic efficacy of Dezocine can be decreased when used in combination with LY-2456302.
DiamorphineThe therapeutic efficacy of Diamorphine can be decreased when used in combination with LY-2456302.
DihydrocodeineThe therapeutic efficacy of Dihydrocodeine can be decreased when used in combination with LY-2456302.
DiphenoxylateThe therapeutic efficacy of Diphenoxylate can be decreased when used in combination with LY-2456302.
Interactions
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Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylethers
Direct Parent
Diphenylethers
Alternative Parents
Diarylethers / Phenylpyrrolidines / 3-halobenzoic acids and derivatives / Benzamides / m-Xylenes / Benzoyl derivatives / Benzylamines / Phenol ethers / Phenoxy compounds / Phenylmethylamines
show 12 more
Substituents
2-phenylpyrrolidine / 3-halobenzoic acid or derivatives / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzamide
show 31 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
DE4G8X55F5
CAS number
1174130-61-0
InChI Key
ZHPMYDSXGRRERG-DEOSSOPVSA-N
InChI
InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)/t24-/m0/s1
IUPAC Name
4-(4-{[(2S)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl}phenoxy)-3-fluorobenzamide
SMILES
CC1=CC(=CC(C)=C1)[C@@H]1CCCN1CC1=CC=C(OC2=CC=C(C=C2F)C(N)=O)C=C1

References

General References
Not Available
PubChem Compound
44129648
PubChem Substance
347828600
ChemSpider
28424203
BindingDB
50358171
ChEMBL
CHEMBL1921847
ZINC
ZINC000043206677
Wikipedia
CERC-501

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedHealth Services ResearchANXIETY DISORDERS (or Anxiety and Phobic Neuroses)1
1CompletedBasic ScienceAlcohol Dependency1
1WithdrawnHealth Services ResearchAnxiety Disorders1

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 Solubility0.000673 mg/mLALOGPS
logP5ALOGPS
logP5.63ChemAxon
logS-5.8ALOGPS
pKa (Strongest Acidic)13.87ChemAxon
pKa (Strongest Basic)8.97ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area55.56 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity122.04 m3·mol-1ChemAxon
Polarizability45.15 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on October 20, 2016 22:01 / Updated on June 12, 2020 16:53