NAV

Cannabinor

Identification

Generic Name
Cannabinor
DrugBank Accession Number
DB05048
Background

Cannabinor, a synthetic CB2-selective agonist, is in Phase 2 clinical testing as an analgesic.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 470.606
Monoisotopic: 470.266838944
Chemical Formula
C28H38O6
Synonyms
Not Available
External IDs
  • PRS-211,375
  • PRS-211375
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Pharmacology

Indication

Investigated for use/treatment in pain (acute or chronic).

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action

CB2 agonists bind to CB2 receptors, which are located on immune and inflammatory cells. By activating CB2 receptors, CB2 agonists inhibit autoimmune and inflammatory processes and are likely to be useful for treating pain, autoimmune and inflammatory disorders. Pharmos is developing its CB2 agonists as treatments for chronic pain and autoimmune diseases such as multiple sclerosis and rheumatoid arthritis.

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
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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as cyclohexylphenols. These are compounds containing a cyclohexane lined to a phenol group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Cyclohexylphenols
Direct Parent
Cyclohexylphenols
Alternative Parents
Phenol esters / Bicyclic monoterpenoids / Aromatic monoterpenoids / Phenylpropanes / Phenoxy compounds / Fatty acid esters / 1-hydroxy-4-unsubstituted benzenoids / 1-hydroxy-2-unsubstituted benzenoids / Dicarboxylic acids and derivatives / Enoate esters
show 4 more
Substituents
1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / Alpha,beta-unsaturated carboxylic ester / Aromatic homopolycyclic compound / Aromatic monoterpenoid / Bicyclic monoterpenoid / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Carboxylic acid ester
show 17 more
Molecular Framework
Aromatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
O8E148Q90M
CAS number
573981-31-4
InChI Key
GSTZHANFXAKPSE-MXTREEOPSA-N
InChI
InChI=1S/C28H38O6/c1-6-7-8-9-12-27(2,3)17-13-22(30)26(23(14-17)34-25(33)11-10-24(31)32)18-15-21(29)20-16-19(18)28(20,4)5/h10-11,13-14,18-20,30H,6-9,12,15-16H2,1-5H3,(H,31,32)/b11-10+/t18-,19-,20+/m0/s1
IUPAC Name
(2E)-4-{2-[(1S,2S,5S)-6,6-dimethyl-4-oxobicyclo[3.1.1]heptan-2-yl]-3-hydroxy-5-(2-methyloctan-2-yl)phenoxy}-4-oxobut-2-enoic acid
SMILES
[H][C@]12C[C@]([H])(C(=O)C[C@@H]1C1=C(O)C=C(C=C1OC(=O)\C=C\C(O)=O)C(C)(C)CCCCCC)C2(C)C

References

General References
Not Available
PubChem Compound
10174045
PubChem Substance
347827707
ChemSpider
8349550
BindingDB
50006254
ChEMBL
CHEMBL3234035
ZINC
ZINC000034377258

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000675 mg/mLALOGPS
logP6.17ALOGPS
logP6.91Chemaxon
logS-5.8ALOGPS
pKa (Strongest Acidic)2.73Chemaxon
pKa (Strongest Basic)-6.1Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area100.9 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity131.38 m3·mol-1Chemaxon
Polarizability53.09 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
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/MSsplash10-0uki-2037900000-a4ea2f344ad67ea6a32e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-1009200000-c59076bbcdcd98120560
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f7a-8298700000-65d47cb998cdb5a502a5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-2009300000-c98f02bcdf86fabb2be7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a59-5039500000-13e9c8cbe27069d15836
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05ac-9233200000-233b17cd31f947ae28c9
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]-224.05276
predicted
DeepCCS 1.0 (2019)
[M+H]+225.87766
predicted
DeepCCS 1.0 (2019)
[M+Na]+231.48413
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2007 22:23 / Updated at June 12, 2020 16:52