Nabiximols (CED0007352)

Record Information
Version1.0
Creation Date2026-04-14 19:37:47 UTC
Update Date2026-05-14 19:39:27 UTC
SynCED IDCED0007352
Secondary Accession Numbers
  • CHEM132049
Identification
Common NameNabiximols
ClassSmall Molecule
Description
Nabiximols is an organic compound with the chemical formula C42H60O4. Nabiximols belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. With an average molecular weight of 628.94 g/mol, Nabiximols is a heavy molecule. In terms of biological activity, there are 44 recorded protein targets for this compound. Nabiximols acts as an inhibitor, inducer/inhibitor, substrate, inverse agonist, or stimulator of several specific proteins, including Cannabinoid receptor 1 (CNR1), Cannabinoid receptor 2 (CNR2), G-protein coupled receptor 12 (GPR12), and Glycine receptor subunit alpha-1 (GLRA1). Additionally, it interacts with 40 other proteins.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC42H60O4
Average Molecular Mass628.938 g/mol
Monoisotopic Mass628.449 g/mol
CAS Registry Number56575-23-6
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@]1(CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1O)C(C)=C.[H][C@@]12CCC(C)=C[C@@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C
InChI IdentifierInChI=1S/2C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15;1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,16-17,22H,5-10H2,1-4H3;11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t16-,17-;17-,18+/m10/s1
InChI KeySSNHGLKFJISNTR-DYSNNVSPSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2162.0 Log mg/kg [1200:3800]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
inflammationHas Therapeutic Effect OnNot AvailableNot AvailablePMC8385185 , PMC6502781
cancerNot AvailableNot AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC7725960
cancerHas Therapeutic Effect OnNot AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC10058143
cancerAssociated With?Not AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC11152453
alcohol dependenceAssociated With?Not AvailableNot AvailablePMC10241424
multiple sclerosisNot AvailableNot AvailableA demyelinating disease that involves damage to the fatty myelin sheaths around the axons of the brain and spinal cord resulting in demyelination and scarring. (DO)PMC7725960 , PMC11910417
multiple sclerosisHas Therapeutic Effect OnNot AvailableA demyelinating disease that involves damage to the fatty myelin sheaths around the axons of the brain and spinal cord resulting in demyelination and scarring. (DO)PMC10058143 , PMC10461691
type 2 diabetes mellitusAssociated With?Not AvailableNot AvailablePMC12821297
strokeAssociated With?Not AvailableNot AvailablePMC11910417
neuropathic painHas Therapeutic Effect OnNot AvailableNot AvailablePMC8385185
neuropathic painNot AvailableNot AvailableNot AvailablePMC7510332 , PMC8604640
painNot AvailableNot AvailableA disorder characterized by the sensation of marked discomfort, distress or agony. (NCI CTCAE)PMC7725960 , PMC10180460
painHas Therapeutic Effect OnNot AvailableA disorder characterized by the sensation of marked discomfort, distress or agony. (NCI CTCAE)PMC10461691 , PMC13104654
painAssociated With?Not AvailableA disorder characterized by the sensation of marked discomfort, distress or agony. (NCI CTCAE)PMC11870277
chronic painNot AvailableNot AvailableA state in which pain lasts for several weeks or months and may increase in severity.PMC11910417 , PMC11910417
chronic painHas Therapeutic Effect OnNot AvailableA state in which pain lasts for several weeks or months and may increase in severity.PMC7609673
colon cancerNot AvailableNot AvailableNot AvailablePMC7571072
schizophreniaAssociated With?Not AvailableA psychotic disorder that is characterized by a disintegration of thought processes and of emotional responsiveness. (DO)PMC12821297
glaucomaHas Therapeutic Effect OnNot AvailableA disorder characterized by an increase in pressure in the eyeball due to obstruction of the aqueous humor outflow. (NCI CTCAE)PMC10058143
osteoarthritisHas Therapeutic Effect OnNot AvailableAn arthritis that has material basis in worn out cartilage located in joint. (DO)PMC12838092
epilepsyHas Therapeutic Effect OnNot AvailableA brain disease that is characterized by the occurrance of at least two unprovoked seizures resulting from a persistent epileptogenic abnormality of the brain that is able to spontaneously generate paroxysmal activity and typically manifested by sudden brief episodes of altered or diminished consciousness, involuntary movements, or convulsions. (DO)PMC10058143
migraineAssociated With?Not AvailableA brain disease that is characterized by moderate to severe headaches, nausea, extreme sensitivity to light and sound and intense unilaterial throbbing or pulsing. (DO)PMC4836167
migraineHas Therapeutic Effect OnNot AvailableA brain disease that is characterized by moderate to severe headaches, nausea, extreme sensitivity to light and sound and intense unilaterial throbbing or pulsing. (DO)PMC11481476
irritable bowel syndromeHas Therapeutic Effect OnNot AvailableA syndrome that is a functional bowel disorder characterized by chronic abdominal pain, discomfort, bloating, and alteration of bowel habits in the absence of any detectable organic cause. (DO)PMC11910417
bipolar disorderAssociated With?Not AvailableA mood disorder that involves alternating periods of mania and depression. (DO)PMC12821297
Oxidative StressHas Therapeutic Effect OnNot AvailableNot AvailablePMC8303441
FibrosisHas Therapeutic Effect OnNot AvailableNot AvailablePMC11489134
inflammatory diseaseHas Therapeutic Effect OnNot AvailableNot AvailablePMC9866488
gliomaHas Therapeutic Effect OnNot AvailableNot AvailablePMC7571072
Atypical behaviorAssociated With?Not AvailableNot AvailablePMC6533278
central nervous system disorderHas Therapeutic Effect OnNot AvailableNot AvailablePMC8385185
Premature birthAssociated With?Not AvailableNot AvailablePMC10573427
AIDSHas Therapeutic Effect OnNot AvailableNot AvailablePMC10058143
EuphoriaAssociated With?Not AvailableNot AvailablePMC7503917
hypotensive disorderAssociated With?Not AvailableNot AvailablePMC11217338
ischemia reperfusion injuryAssociated With?Not AvailableNot AvailablePMC11722839
Heart RateAssociated With?increaseNot AvailablePMC12034656
Neurogenic InflammationHas Therapeutic Effect OnNot AvailableNot AvailablePMC11481476 , PMC11481476
Drug Resistant EpilepsyNot AvailableNot AvailableNot AvailablePMC11910417
Diabetes ComplicationsAssociated With?Not AvailableNot AvailablePMC12389431
Muscle spasmHas Therapeutic Effect OnNot AvailableNot AvailablePMC10058143
NeuroprotectionAssociated With?Not AvailableNot AvailablePMC12389431
Cardiac OutputAssociated With?increaseNot AvailablePMC12034656
HypoxemiaAssociated With?Not AvailableNot AvailablePMC4691597
SpasticityNot AvailableNot AvailableNot AvailablePMC7725960 , PMC11910417
SpasticityHas Therapeutic Effect OnNot AvailableNot AvailablePMC11910417 , PMC10461691
spinal cord injuryHas Therapeutic Effect OnNot AvailableNot AvailablePMC10058143
Gilles de la Tourette syndromeHas Therapeutic Effect OnNot AvailableNot AvailablePMC10058143
Addictive behaviorAssociated With?Not AvailableNot AvailablePMC7605022 , PMC7605022
Pain ManagementHas Therapeutic Effect OnNot AvailableNot AvailablePMC7023162
cannabinoid hyperemesis syndromeAssociated With?Not AvailableNot AvailablePMC11722839
chronic pain syndromeHas Therapeutic Effect OnNot AvailableNot AvailablePMC7023162
Exposure Sources
Source IDSourceSectorReference
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000559Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.Household cleaning & consumer productsPubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs01145BeveragesFood, food processing & cookwarePMC10058102
CEDs01153Breast MilkFood, food processing & cookwarePMC6093803
CEDs01157FoodsFood, food processing & cookwarePMC10058102
CEDs01189ChocolateFood, food processing & cookwarePMC8362103 , PMC8362103
CEDs01491Fortified FoodsFood, food processing & cookwarePMC10180460
CEDs01879ResinIndustrial manufacturing & chemical processingPMC9963667
CEDs02255WaterAquatic systems & sedimentsPMC12286256
CEDs02599AerosolAir, dust & atmospheric transportPMC11152453
CEDs02961Crude OilEnergy, oil & gasPMC12805879
CEDs03014SewageWastewater, sanitation & biosolidsPMC8366482
CEDs03128Wastewater MatricesWastewater, sanitation & biosolidsPMC8921034
CEDs03184Detergent MicellesHousehold cleaning & consumer productsPMC3463599
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Gamma-aminobutyric acid receptor subunit beta-2 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit beta-2P47870HumansPredicted (SEA)
Prediction Confidence Score
0.732
Applicability Domain
0.732
Statistical Significance
5.00e-05
Supporting Reference Compounds
1
E-value
0.389246
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.73
Applicability Domain
0.839
Statistical Significance
5.00e-05
Supporting Reference Compounds
175
E-value
0.389246
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.695
Applicability Domain
0.839
Statistical Significance
1.40e-04
Supporting Reference Compounds
200
E-value
1.08989
Transient receptor potential cation channel subfamily M member 8 structureClick to view 3D structureTransient receptor potential cation channel subfamily M member 8Q7Z2W7HumansPredicted (SEA)
Prediction Confidence Score
0.695
Applicability Domain
0.839
Statistical Significance
1.00e-05
Supporting Reference Compounds
43
E-value
0.0778492
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)
Prediction Confidence Score
0.669
Applicability Domain
0.732
Statistical Significance
4.00e-05
Supporting Reference Compounds
104
E-value
0.311397
G-protein coupled receptor 55 structureClick to view 3D structureG-protein coupled receptor 55Q9Y2T6HumansPredicted (SEA)
Prediction Confidence Score
0.635
Applicability Domain
0.839
Statistical Significance
1.00e-04
Supporting Reference Compounds
125
E-value
0.778492
Click to view 3D structureTransient receptor potential cation channel subfamily A member 1Q6RI86Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.621
Applicability Domain
0.839
Statistical Significance
3.00e-05
Supporting Reference Compounds
56
E-value
0.233548
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.61
Applicability Domain
0.839
Statistical Significance
2.80e-04
Supporting Reference Compounds
83
E-value
2.17978
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)
Prediction Confidence Score
0.581
Applicability Domain
0.732
Statistical Significance
0.0032
Supporting Reference Compounds
527
E-value
25.2231
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.555
Applicability Domain
0.839
Statistical Significance
6.00e-05
Supporting Reference Compounds
42
E-value
0.467095
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.554
Applicability Domain
0.606
Statistical Significance
9.70e-04
Supporting Reference Compounds
686
E-value
7.55137
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.54
Applicability Domain
0.732
Statistical Significance
0.0049
Supporting Reference Compounds
1103
E-value
38.224
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)
Prediction Confidence Score
0.529
Applicability Domain
0.839
Statistical Significance
3.00e-04
Supporting Reference Compounds
39
E-value
2.33548
Click to view 3D structureTransient receptor potential cation channel subfamily M member 8Q8R455Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.525
Applicability Domain
0.732
Statistical Significance
3.00e-05
Supporting Reference Compounds
23
E-value
0.233548
Click to view 3D structureHeat sensitive channel TRPV3Q4QYD9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.494
Applicability Domain
0.732
Statistical Significance
3.00e-05
Supporting Reference Compounds
3
E-value
0.233548
Transient receptor potential cation channel subfamily V member 4 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 4Q9HBA0HumansPredicted (SEA)
Prediction Confidence Score
0.468
Applicability Domain
0.724
Statistical Significance
2.20e-04
Supporting Reference Compounds
32
E-value
1.71268
Transient receptor potential cation channel subfamily V member 3 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 3Q8NET8HumansPredicted (SEA)
Prediction Confidence Score
0.468
Applicability Domain
0.724
Statistical Significance
2.00e-05
Supporting Reference Compounds
15
E-value
0.155698
Transient receptor potential cation channel subfamily A member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily A member 1O75762HumansPredicted (SEA)
Prediction Confidence Score
0.468
Applicability Domain
0.724
Statistical Significance
4.00e-05
Supporting Reference Compounds
70
E-value
0.311397
Click to view 3D structureTransient receptor potential cation channel subfamily V member 4Q9ERZ8Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.458
Applicability Domain
0.732
Statistical Significance
1.10e-04
Supporting Reference Compounds
18
E-value
0.856341
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.456
Applicability Domain
0.732
Statistical Significance
0.0099
Supporting Reference Compounds
953
E-value
77.3043
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9Y5S1HumansPredicted (SEA)
Prediction Confidence Score
0.451
Applicability Domain
0.724
Statistical Significance
2.00e-05
Supporting Reference Compounds
6
E-value
0.155698
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.443
Applicability Domain
0.732
Statistical Significance
6.00e-04
Supporting Reference Compounds
21
E-value
4.67095
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.427
Applicability Domain
0.621
Statistical Significance
0.0032
Supporting Reference Compounds
451
E-value
24.9896
Transient receptor potential cation channel subfamily V member 5 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 5Q9NQA5HumansPredicted (SEA)
Prediction Confidence Score
0.423
Applicability Domain
0.724
Statistical Significance
2.00e-05
Supporting Reference Compounds
2
E-value
0.155698
Click to view 3D structurePyruvate kinase PKMP52480Mus musculusPredicted (SEA)
Prediction Confidence Score
0.423
Applicability Domain
0.423
Statistical Significance
6.00e-05
Supporting Reference Compounds
1
E-value
0.467095
UDP-glucuronosyltransferase 2B7 structureClick to view 3D structureUDP-glucuronosyltransferase 2B7P16662HumansKnownNot Available
Tyrosinase structureClick to view 3D structureTyrosinaseP14679HumansKnownNot Available
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available