NAV

Axomadol

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

Identification

Generic Name
Axomadol
DrugBank Accession Number
DB16100
Background

Axomadol is under investigation in clinical trial NCT01043263 (Efficacy and Safety of EN3324 (Axomadol) in Subjects With Chronic Low Back Pain).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 279.38
Monoisotopic: 279.183443669
Chemical Formula
C16H25NO3
Synonyms
  • Axomadol
  • Bn-110 free base
  • Bn110 free base
  • Grt-151 free base
  • Grt151 free base
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
9J92U4CVS0
CAS number
187219-99-4
InChI Key
LQJLLAOISDVBJM-OFQRWUPVSA-N
InChI
InChI=1S/C16H25NO3/c1-17(2)11-13-7-8-14(18)10-16(13,19)12-5-4-6-15(9-12)20-3/h4-6,9,13-14,18-19H,7-8,10-11H2,1-3H3/t13-,14-,16+/m0/s1
IUPAC Name
(1S,3S,6S)-6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexane-1,3-diol
SMILES
COC1=CC=CC(=C1)[C@]1(O)C[C@@H](O)CC[C@H]1CN(C)C

References

General References
Not Available
ChemSpider
28530643
Wikipedia
Axomadol

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentChronic Lower Back Pain (CLBP)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
PropertyValueSource
Water Solubility5.85 mg/mLALOGPS
logP1.7ALOGPS
logP0.99Chemaxon
logS-1.7ALOGPS
pKa (Strongest Acidic)13.7Chemaxon
pKa (Strongest Basic)9.23Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area52.93 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity79.9 m3·mol-1Chemaxon
Polarizability31.33 Å3Chemaxon
Number of Rings2Chemaxon
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/MSsplash10-090u-1190000000-0a9739d20511b6bfbd3f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0090000000-b31a6ba6b88dd38b7ad6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0090000000-367b51477f62b589f8c4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9430000000-26bcd8fd89fde0654ea0
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-3890000000-8bd9943a607174446710
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9720000000-ac22acbdaf4305eba82d
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:05 / Updated at February 21, 2021 18:55