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| Stem definition | Drug id | CAS RN |
|---|---|---|
| cannabinoid receptors agonists | 1862 | 51022-71-0 |
| Dose | Unit | Route |
|---|---|---|
| 3 | mg | O |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 20 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| S (Water solubility) | 0.00 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 4.947 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.923 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.887 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 39.902 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 0.220 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 0.240 | % | High | 1 |
| herg | hERG pIC50 | 5.051 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 31.842 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 63.096 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 0.600 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 54 | |||
| kinase-selectivity-class | EIF2AK3,GRK2 | 2 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.457 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 72.611 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 0.470 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.632 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 0.240 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 86.298 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 0.410 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 0.440 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 1.698 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Dec. 26, 1985 | FDA | MEDA PHARMS |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| White blood cell count abnormal | 354.91 | 23.56 | 84 | 5445 | 7420 | 90615498 |
| Somatic symptom disorder | 129.16 | 23.56 | 32 | 5497 | 3409 | 90619509 |
| Musculoskeletal stiffness | 128.01 | 23.56 | 121 | 5408 | 296411 | 90326507 |
| Sacroiliitis | 127.53 | 23.56 | 33 | 5496 | 4186 | 90618732 |
| Gait disturbance | 125.41 | 23.56 | 113 | 5416 | 260383 | 90362535 |
| Rheumatoid arthritis | 105.91 | 23.56 | 120 | 5409 | 362494 | 90260424 |
| Insomnia | 89.98 | 23.56 | 106 | 5423 | 333368 | 90289550 |
| Drug hypersensitivity | 82.48 | 23.56 | 120 | 5409 | 463489 | 90159429 |
| Mood altered | 82.04 | 23.56 | 33 | 5496 | 17111 | 90605807 |
| Mean cell haemoglobin concentration abnormal | 74.33 | 23.56 | 12 | 5517 | 136 | 90622782 |
| Acute psychosis | 73.59 | 23.56 | 20 | 5509 | 3058 | 90619860 |
| Pain | 70.97 | 23.56 | 174 | 5355 | 996167 | 89626751 |
| Therapeutic product effect incomplete | 70.20 | 23.56 | 72 | 5457 | 193824 | 90429094 |
| Lip and/or oral cavity cancer | 68.87 | 23.56 | 15 | 5514 | 907 | 90622011 |
| Therapeutic response shortened | 63.50 | 23.56 | 30 | 5499 | 22849 | 90600069 |
| Cognitive disorder | 61.04 | 23.56 | 43 | 5486 | 69364 | 90553554 |
| Occult blood | 58.41 | 23.56 | 14 | 5515 | 1297 | 90621621 |
| Cannabinoid hyperemesis syndrome | 52.76 | 23.56 | 8 | 5521 | 58 | 90622860 |
| Anaphylactic reaction | 52.17 | 23.56 | 43 | 5486 | 87481 | 90535437 |
| Thyroid cancer | 47.87 | 23.56 | 17 | 5512 | 6267 | 90616651 |
| Psychotic disorder | 43.91 | 23.56 | 26 | 5503 | 31204 | 90591714 |
| Dystonia | 43.46 | 23.56 | 21 | 5508 | 16798 | 90606120 |
| Ankylosing spondylitis | 32.73 | 23.56 | 16 | 5513 | 13117 | 90609801 |
| Blood pressure increased | 31.97 | 23.56 | 49 | 5480 | 197168 | 90425750 |
| Iron deficiency | 31.02 | 23.56 | 14 | 5515 | 9598 | 90613320 |
| Dyskinesia | 30.64 | 23.56 | 22 | 5507 | 36512 | 90586406 |
| Eyelid haematoma | 28.97 | 23.56 | 5 | 5524 | 87 | 90622831 |
| Lichen sclerosus | 28.62 | 23.56 | 8 | 5521 | 1355 | 90621563 |
| Orthostatic hypotension | 25.85 | 23.56 | 21 | 5508 | 41806 | 90581112 |
| Eyelid injury | 25.65 | 23.56 | 5 | 5524 | 174 | 90622744 |
| Spinal osteoarthritis | 24.48 | 23.56 | 15 | 5514 | 19133 | 90603785 |
| Strabismus | 23.94 | 23.56 | 8 | 5521 | 2460 | 90620458 |
| Aplastic anaemia | 23.92 | 23.56 | 13 | 5516 | 13256 | 90609662 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Inspiratory capacity decreased | 456.90 | 48.70 | 90 | 2930 | 2877 | 42615438 |
| Pelvic pain | 192.89 | 48.70 | 45 | 2975 | 3209 | 42615106 |
| Terminal insomnia | 166.55 | 48.70 | 32 | 2988 | 887 | 42617428 |
| Injection site warmth | 132.39 | 48.70 | 32 | 2988 | 2651 | 42615664 |
| Kidney infection | 103.06 | 48.70 | 32 | 2988 | 6738 | 42611577 |
| Oral herpes | 99.65 | 48.70 | 32 | 2988 | 7512 | 42610803 |
| Neck pain | 97.86 | 48.70 | 46 | 2974 | 29968 | 42588347 |
| Ocular hyperaemia | 96.91 | 48.70 | 38 | 2982 | 15925 | 42602390 |
| Injection site mass | 95.62 | 48.70 | 32 | 2988 | 8543 | 42609772 |
| Musculoskeletal pain | 93.25 | 48.70 | 46 | 2974 | 33294 | 42585021 |
| Burning sensation | 83.58 | 48.70 | 37 | 2983 | 20976 | 42597339 |
| Dry eye | 77.15 | 48.70 | 32 | 2988 | 15474 | 42602841 |
| Injection site reaction | 76.72 | 48.70 | 32 | 2988 | 15689 | 42602626 |
| Drug ineffective | 73.36 | 48.70 | 146 | 2874 | 630051 | 41988264 |
| Feeling hot | 70.42 | 48.70 | 34 | 2986 | 23448 | 42594867 |
| Injection site erythema | 69.02 | 48.70 | 32 | 2988 | 20163 | 42598152 |
| Back pain | 65.04 | 48.70 | 64 | 2956 | 141712 | 42476603 |
| Chest injury | 56.49 | 48.70 | 15 | 3005 | 1807 | 42616508 |
| Pain | 52.70 | 48.70 | 75 | 2945 | 244773 | 42373542 |
| Cardiac disorder | 49.55 | 48.70 | 35 | 2985 | 48897 | 42569418 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Inspiratory capacity decreased | 377.46 | 22.99 | 75 | 7648 | 2520 | 110579056 |
| Terminal insomnia | 148.59 | 22.99 | 33 | 7690 | 1905 | 110579671 |
| Somatic symptom disorder | 127.55 | 22.99 | 32 | 7691 | 3127 | 110578449 |
| Pelvic pain | 122.71 | 22.99 | 45 | 7678 | 15897 | 110565679 |
| Sacroiliitis | 117.67 | 22.99 | 33 | 7690 | 4945 | 110576631 |
| Kidney infection | 80.03 | 22.99 | 38 | 7685 | 25561 | 110556015 |
| Injection site warmth | 77.23 | 22.99 | 33 | 7690 | 17372 | 110564204 |
| Injection site mass | 72.27 | 22.99 | 35 | 7688 | 24578 | 110556998 |
| Mood altered | 70.72 | 22.99 | 33 | 7690 | 21342 | 110560234 |
| Ankylosing spondylitis | 70.59 | 22.99 | 30 | 7693 | 15582 | 110565994 |
| Ocular hyperaemia | 67.35 | 22.99 | 39 | 7684 | 39247 | 110542329 |
| Lip and/or oral cavity cancer | 63.03 | 22.99 | 15 | 7708 | 1175 | 110580401 |
| Burning sensation | 62.59 | 22.99 | 46 | 7677 | 69166 | 110512410 |
| Acute psychosis | 61.38 | 22.99 | 20 | 7703 | 4967 | 110576609 |
| Oral herpes | 59.68 | 22.99 | 35 | 7688 | 36045 | 110545531 |
| Therapeutic response shortened | 57.81 | 22.99 | 32 | 7691 | 29551 | 110552025 |
| Musculoskeletal pain | 55.32 | 22.99 | 66 | 7657 | 182957 | 110398619 |
| Mean cell haemoglobin concentration abnormal | 55.13 | 22.99 | 10 | 7713 | 203 | 110581373 |
| Therapeutic product effect incomplete | 53.82 | 22.99 | 72 | 7651 | 223733 | 110357843 |
| Occult blood | 51.69 | 22.99 | 14 | 7709 | 1842 | 110579734 |
| Cannabinoid hyperemesis syndrome | 49.11 | 22.99 | 8 | 7715 | 83 | 110581493 |
| Cognitive disorder | 49.06 | 22.99 | 44 | 7679 | 87467 | 110494109 |
| Neck pain | 48.51 | 22.99 | 51 | 7672 | 123079 | 110458497 |
| Drug ineffective | 46.55 | 22.99 | 219 | 7504 | 1520321 | 109061255 |
| Thyroid cancer | 45.81 | 22.99 | 17 | 7706 | 6197 | 110575379 |
| Dry eye | 45.80 | 22.99 | 35 | 7688 | 55758 | 110525818 |
| Drug ineffective for unapproved indication | 44.86 | 22.99 | 45 | 7678 | 102793 | 110478783 |
| Feeling hot | 43.71 | 22.99 | 42 | 7681 | 91064 | 110490512 |
| Back pain | 42.12 | 22.99 | 85 | 7638 | 370911 | 110210665 |
| Blood pressure increased | 41.76 | 22.99 | 69 | 7654 | 258304 | 110323272 |
| Chest injury | 39.25 | 22.99 | 13 | 7710 | 3396 | 110578180 |
| Cardiac disorder | 38.17 | 22.99 | 36 | 7687 | 76244 | 110505332 |
| Pain | 36.30 | 22.99 | 147 | 7576 | 954808 | 109626768 |
| Arthralgia | 36.22 | 22.99 | 128 | 7595 | 779504 | 109802072 |
| Injection site erythema | 35.29 | 22.99 | 38 | 7685 | 94138 | 110487438 |
| Musculoskeletal stiffness | 34.01 | 22.99 | 66 | 7657 | 279756 | 110301820 |
| Dystonia | 32.39 | 22.99 | 21 | 7702 | 25784 | 110555792 |
| Injection site reaction | 31.74 | 22.99 | 35 | 7688 | 89035 | 110492541 |
| Psychotic disorder | 31.32 | 22.99 | 27 | 7696 | 50910 | 110530666 |
| Immune-mediated hepatitis | 30.68 | 22.99 | 13 | 7710 | 6698 | 110574878 |
| Incorrect dose administered | 30.67 | 22.99 | 37 | 7686 | 103604 | 110477972 |
| Joint swelling | 29.06 | 22.99 | 82 | 7641 | 442763 | 110138813 |
| Lichen sclerosus | 28.77 | 22.99 | 8 | 7715 | 1160 | 110580416 |
| Lower respiratory tract congestion | 27.75 | 22.99 | 11 | 7712 | 4785 | 110576791 |
| Strabismus | 27.37 | 22.99 | 10 | 7713 | 3489 | 110578087 |
| Eyelid haematoma | 26.80 | 22.99 | 5 | 7718 | 119 | 110581457 |
| Malaise | 26.72 | 22.99 | 105 | 7618 | 671714 | 109909862 |
| Eyelid injury | 24.73 | 22.99 | 5 | 7718 | 183 | 110581393 |
| Heart rate increased | 24.00 | 22.99 | 39 | 7684 | 143795 | 110437781 |
| Aplastic anaemia | 23.88 | 22.99 | 17 | 7706 | 24291 | 110557285 |
| Rash | 23.72 | 22.99 | 14 | 7709 | 820950 | 109760626 |
| Body temperature decreased | 23.56 | 22.99 | 20 | 7703 | 36915 | 110544661 |
None
| Source | Code | Description |
|---|---|---|
| ATC | A04AD11 | ALIMENTARY TRACT AND METABOLISM ANTIEMETICS AND ANTINAUSEANTS ANTIEMETICS AND ANTINAUSEANTS Other antiemetics |
| FDA CS | M0003267 | Cannabinoids |
| MeSH PA | D000932 | Antiemetics |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D005765 | Gastrointestinal Agents |
| MeSH PA | D011619 | Psychotropic Drugs |
| MeSH PA | D014149 | Tranquilizing Agents |
| MeSH PA | D014151 | Anti-Anxiety Agents |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| FDA EPC | N0000175782 | Cannabinoid |
| CHEBI has role | CHEBI:35476 | antipsychotic agent |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:48407 | antiparkinson drug |
| CHEBI has role | CHEBI:50919 | antiemetic |
| CHEBI has role | CHEBI:74518 | anti-obesity agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Chemotherapy-induced nausea and vomiting | indication | 236084000 | |
| Depressive disorder | contraindication | 35489007 | |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Conduction disorder of the heart | contraindication | 44808001 | |
| Low blood pressure | contraindication | 45007003 | |
| Chronic heart failure | contraindication | 48447003 | |
| Schizophrenia | contraindication | 58214004 | DOID:5419 |
| Hepatic failure | contraindication | 59927004 | |
| Substance abuse | contraindication | 66214007 | |
| Psychotic disorder | contraindication | 69322001 | |
| Mania | contraindication | 231494001 | |
| Breastfeeding (mother) | contraindication | 413712001 | |
| Disorder of coronary artery | contraindication | 414024009 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.7 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | GPCR | AGONIST | Ki | 8.40 | CHEMBL | CHEMBL | |||
| Cannabinoid receptor 2 | GPCR | Ki | 8.20 | CHEMBL | |||||
| Cannabinoid receptor 1 | GPCR | Ki | 8.66 | CHEMBL | |||||
| Cannabinoid receptor 2 | GPCR | Ki | 8.74 | CHEMBL |
| ID | Source |
|---|---|
| 4019352 | VUID |
| N0000147524 | NUI |
| D05099 | KEGG_DRUG |
| 4019352 | VANDF |
| C0068333 | UMLSCUI |
| CHEBI:135574 | CHEBI |
| CHEMBL2218896 | ChEMBL_ID |
| DB00486 | DRUGBANK_ID |
| C011941 | MESH_SUPPLEMENTAL_RECORD_UI |
| 5284592 | PUBCHEM_CID |
| 9071 | IUPHAR_LIGAND_ID |
| 3930 | INN_ID |
| 2N4O9L084N | UNII |
| 31447 | RXNORM |
| 15778 | MMSL |
| 38357 | MMSL |
| 52672 | MMSL |
| d04587 | MMSL |
| 001686 | NDDF |
| 322124005 | SNOMEDCT_US |
| 395806009 | SNOMEDCT_US |
| 2N4O9L084N | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Cesamet | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0187-1231 | CAPSULE | 1 mg | ORAL | NDA | 22 sections |