NAV

Ondelopran

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

Identification

Generic Name
Ondelopran
DrugBank Accession Number
DB12585
Background

Ondelopran has been used in trials studying the treatment of Alcohol Dependence.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 373.428
Monoisotopic: 373.180169808
Chemical Formula
C20H24FN3O3
Synonyms
  • Ondelopran
External IDs
  • LY-2196044
  • LY2196044
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Pharmacology

Indication

Not Available

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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
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
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interactions in your software
AlfentanilThe therapeutic efficacy of Alfentanil can be decreased when used in combination with Ondelopran.
BenzhydrocodoneThe therapeutic efficacy of Benzhydrocodone can be decreased when used in combination with Ondelopran.
BuprenorphineThe therapeutic efficacy of Buprenorphine can be decreased when used in combination with Ondelopran.
ButorphanolThe therapeutic efficacy of Butorphanol can be decreased when used in combination with Ondelopran.
CodeineThe therapeutic efficacy of Codeine can be decreased when used in combination with Ondelopran.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Ethers
Direct Parent
Diarylethers
Alternative Parents
Nicotinamides / Phenylmethylamines / Phenoxy compounds / Phenol ethers / Benzylamines / Aralkylamines / Fluorobenzenes / Oxanes / Aryl fluorides / Heteroaromatic compounds
show 9 more
Substituents
Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid / Benzylamine / Carboxamide group
show 26 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
4VZT670SD9
CAS number
676501-25-0
InChI Key
QWNDOCKIKKQJNN-UHFFFAOYSA-N
InChI
InChI=1S/C20H24FN3O3/c21-17-11-15(12-23-8-5-14-6-9-26-10-7-14)1-3-18(17)27-19-4-2-16(13-24-19)20(22)25/h1-4,11,13-14,23H,5-10,12H2,(H2,22,25)
IUPAC Name
6-[2-fluoro-4-({[2-(oxan-4-yl)ethyl]amino}methyl)phenoxy]pyridine-3-carboxamide
SMILES
NC(=O)C1=CC=C(OC2=C(F)C=C(CNCCC3CCOCC3)C=C2)N=C1

References

General References
Not Available
PubChem Compound
10457387
PubChem Substance
347828805
ChemSpider
8632801
ChEMBL
CHEMBL2103878
ZINC
ZINC000038910715

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedTreatmentAlcohol Dependency1
2CompletedTreatmentAlcohol Dependency1

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 Solubility0.00461 mg/mLALOGPS
logP3.08ALOGPS
logP2.19Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)13.46Chemaxon
pKa (Strongest Basic)9.27Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area86.47 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity100.97 m3·mol-1Chemaxon
Polarizability38.1 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-0ab9-0009000000-07657041d3ae5804d095
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0009000000-ab12bf7c8f45ae6ce951
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0019000000-5119e85a63df57f7b9c2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0kor-0029000000-fec8704a4efb38e3b81c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-02ai-9316000000-ff8af40d2fc80d82b424
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-4933000000-747b8a8b1f830b06ca2e
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-185.66133
predicted
DeepCCS 1.0 (2019)
[M+H]+188.01933
predicted
DeepCCS 1.0 (2019)
[M+Na]+195.13004
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:02 / Updated at February 21, 2021 18:53