Cannabinor
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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
- Weight
- Average: 470.606
Monoisotopic: 470.266838944 - Chemical Formula
- C28H38O6
- Synonyms
- Not Available
- External IDs
- PRS-211,375
- PRS-211375
Pharmacology
- Indication
Investigated for use/treatment in pain (acute or chronic).
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- PubChem Compound
- 10174045
- PubChem Substance
- 347827707
- ChemSpider
- 8349550
- BindingDB
- 50006254
- ChEMBL
- CHEMBL3234035
- ZINC
- ZINC000034377258
Clinical Trials
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
Property Value Source Water Solubility 0.000675 mg/mL ALOGPS logP 6.17 ALOGPS logP 6.91 Chemaxon logS -5.8 ALOGPS pKa (Strongest Acidic) 2.73 Chemaxon pKa (Strongest Basic) -6.1 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 100.9 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 131.38 m3·mol-1 Chemaxon Polarizability 53.09 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0uki-2037900000-a4ea2f344ad67ea6a32e Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-1009200000-c59076bbcdcd98120560 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0f7a-8298700000-65d47cb998cdb5a502a5 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-2009300000-c98f02bcdf86fabb2be7 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a59-5039500000-13e9c8cbe27069d15836 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-05ac-9233200000-233b17cd31f947ae28c9 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 224.05276 predictedDeepCCS 1.0 (2019) [M+H]+ 225.87766 predictedDeepCCS 1.0 (2019) [M+Na]+ 231.48413 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2007 22:23 / Updated at June 12, 2020 16:52