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| Stem definition | Drug id | CAS RN |
|---|---|---|
| cannabinoid receptors agonists | 1863 | 42924-53-8 |
| Dose | Unit | Route |
|---|---|---|
| 1 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 0.01 mg/mL | Bocci G, Oprea TI, Benet LZ |
| EoM (Fraction excreted unchanged in urine) | 0 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 125.15 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 35 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MET,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CG,PIM2,PRKDC,SIK3,STK33,TEK,TTK | 37 | |||
| kinase-selectivity-class | AXL,BRAF,EIF2AK3,GRK2,MAP2K6,MAPK12,PDK4 | 7 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Dec. 24, 1991 | FDA |
| 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 |
|---|---|---|---|---|---|---|
| Drug hypersensitivity | 91.24 | 14.21 | 156 | 8073 | 463453 | 90156765 |
| Retinopathy | 31.79 | 14.21 | 12 | 8217 | 3522 | 90616696 |
| Periarticular disorder | 29.46 | 14.21 | 5 | 8224 | 51 | 90620167 |
| Rubella | 29.45 | 14.21 | 6 | 8223 | 174 | 90620044 |
| Completed suicide | 28.63 | 14.21 | 49 | 8180 | 145009 | 90475209 |
| Product dose omission issue | 26.62 | 14.21 | 72 | 8157 | 291615 | 90328603 |
| Injection site pain | 23.53 | 14.21 | 50 | 8179 | 173649 | 90446569 |
| Systemic lupus erythematosus | 22.73 | 14.21 | 3 | 8226 | 361893 | 90258325 |
| Maternal exposure during pregnancy | 22.58 | 14.21 | 3 | 8226 | 360060 | 90260158 |
| Glossodynia | 19.43 | 14.21 | 3 | 8226 | 321776 | 90298442 |
| Urinary tract infection | 19.02 | 14.21 | 66 | 8163 | 305566 | 90314652 |
| Wound | 17.90 | 14.21 | 3 | 8226 | 302977 | 90317241 |
| Limb mass | 14.91 | 14.21 | 7 | 8222 | 3521 | 90616697 |
| Off label use | 14.85 | 14.21 | 51 | 8178 | 1102201 | 89518017 |
| Depression | 14.62 | 14.21 | 60 | 8169 | 300541 | 90319677 |
| 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 |
|---|---|---|---|---|---|---|
| Splenic embolism | 51.65 | 20.49 | 10 | 2997 | 289 | 42618039 |
| Sideroblastic anaemia | 49.61 | 20.49 | 10 | 2997 | 357 | 42617971 |
| Vitamin B1 decreased | 49.08 | 20.49 | 10 | 2997 | 377 | 42617951 |
| Diaphragmatic injury | 45.83 | 20.49 | 8 | 2999 | 128 | 42618200 |
| Psoriatic arthropathy | 43.17 | 20.49 | 25 | 2982 | 24942 | 42593386 |
| Implant site infection | 38.15 | 20.49 | 10 | 2997 | 1151 | 42617177 |
| Marrow hyperplasia | 37.12 | 20.49 | 10 | 2997 | 1277 | 42617051 |
| Autoimmune haemolytic anaemia | 36.20 | 20.49 | 14 | 2993 | 5657 | 42612671 |
| Granulomatous liver disease | 32.73 | 20.49 | 8 | 2999 | 695 | 42617633 |
| Lentigo | 31.37 | 20.49 | 8 | 2999 | 826 | 42617502 |
| Mycobacterial infection | 29.93 | 20.49 | 10 | 2997 | 2658 | 42615670 |
| Granuloma | 29.49 | 20.49 | 11 | 2996 | 4030 | 42614298 |
| Psoriasis | 28.17 | 20.49 | 25 | 2982 | 48579 | 42569749 |
| Renal atrophy | 27.81 | 20.49 | 8 | 2999 | 1299 | 42617029 |
| Pulmonary granuloma | 25.84 | 20.49 | 8 | 2999 | 1669 | 42616659 |
| Ankylosing spondylitis | 23.57 | 20.49 | 11 | 2996 | 7045 | 42611283 |
| Splenic infarction | 22.92 | 20.49 | 8 | 2999 | 2423 | 42615905 |
| Pain | 22.78 | 20.49 | 52 | 2955 | 244796 | 42373532 |
| Upper gastrointestinal haemorrhage | 22.53 | 20.49 | 18 | 2989 | 30281 | 42588047 |
| Pulseless electrical activity | 21.70 | 20.49 | 11 | 2996 | 8426 | 42609902 |
| Melanocytic naevus | 21.30 | 20.49 | 8 | 2999 | 2984 | 42615344 |
| 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 |
|---|---|---|---|---|---|---|
| Drug hypersensitivity | 86.33 | 14.75 | 138 | 8437 | 453952 | 110126772 |
| Splenic embolism | 53.49 | 14.75 | 10 | 8565 | 216 | 110580508 |
| Sideroblastic anaemia | 46.64 | 14.75 | 10 | 8565 | 439 | 110580285 |
| Diaphragmatic injury | 45.07 | 14.75 | 8 | 8567 | 128 | 110580596 |
| Completed suicide | 41.00 | 14.75 | 70 | 8505 | 242311 | 110338413 |
| Vitamin B1 decreased | 39.30 | 14.75 | 10 | 8565 | 929 | 110579795 |
| Retinopathy | 34.59 | 14.75 | 13 | 8562 | 4416 | 110576308 |
| Marrow hyperplasia | 32.89 | 14.75 | 10 | 8565 | 1786 | 110578938 |
| Implant site infection | 31.33 | 14.75 | 10 | 8565 | 2093 | 110578631 |
| Rubella | 30.43 | 14.75 | 6 | 8569 | 173 | 110580551 |
| Autoimmune haemolytic anaemia | 29.44 | 14.75 | 15 | 8560 | 10552 | 110570172 |
| Injection site pain | 25.71 | 14.75 | 48 | 8527 | 177874 | 110402850 |
| Granulomatous liver disease | 25.54 | 14.75 | 8 | 8567 | 1576 | 110579148 |
| Mycobacterial infection | 24.09 | 14.75 | 10 | 8565 | 4407 | 110576317 |
| Off label use | 22.70 | 14.75 | 52 | 8523 | 1500133 | 109080591 |
| Renal atrophy | 22.46 | 14.75 | 8 | 8567 | 2338 | 110578386 |
| Product dose omission issue | 22.28 | 14.75 | 65 | 8510 | 321717 | 110259007 |
| Pain | 22.20 | 14.75 | 138 | 8437 | 954817 | 109625907 |
| Pulmonary granuloma | 21.77 | 14.75 | 8 | 8567 | 2553 | 110578171 |
| Granuloma | 19.49 | 14.75 | 11 | 8564 | 9479 | 110571245 |
| Psoriasis | 18.05 | 14.75 | 36 | 8539 | 139957 | 110440767 |
| Splenic infarction | 17.63 | 14.75 | 8 | 8567 | 4366 | 110576358 |
| Ankylosing spondylitis | 16.74 | 14.75 | 12 | 8563 | 15600 | 110565124 |
| Upper gastrointestinal haemorrhage | 16.68 | 14.75 | 20 | 8555 | 50076 | 110530648 |
| Surgery | 16.30 | 14.75 | 18 | 8557 | 41265 | 110539459 |
| Splenomegaly | 15.87 | 14.75 | 14 | 8561 | 24484 | 110556240 |
| Respiratory arrest | 15.79 | 14.75 | 21 | 8554 | 58278 | 110522446 |
| Febrile neutropenia | 15.28 | 14.75 | 3 | 8572 | 316764 | 110263960 |
| Limb mass | 15.18 | 14.75 | 7 | 8568 | 3962 | 110576762 |
| Emotional distress | 15.08 | 14.75 | 18 | 8557 | 44829 | 110535895 |
| Nail infection | 14.82 | 14.75 | 6 | 8569 | 2482 | 110578242 |
None
| Source | Code | Description |
|---|---|---|
| ATC | M01AX01 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Other antiinflammatory and antirheumatic agents, non-steroids |
| FDA CS | M0001335 | Anti-Inflammatory Agents, Non-Steroidal |
| FDA MoA | N0000000160 | Cyclooxygenase Inhibitors |
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D016861 | Cyclooxygenase Inhibitors |
| MeSH PA | D018501 | Antirheumatic Agents |
| MeSH PA | D018689 | Sensory System Agents |
| MeSH PA | D018712 | Analgesics, Non-Narcotic |
| MeSH PA | D052246 | Cyclooxygenase 2 Inhibitors |
| FDA EPC | N0000175722 | Nonsteroidal Anti-inflammatory Drug |
| CHEBI has role | CHEBI:35475 | non-steroidal anti-inflammatory drug |
| CHEBI has role | CHEBI:35481 | non-narcotic analgesic |
| CHEBI has role | CHEBI:35842 | antirheumatic drug |
| CHEBI has role | CHEBI:50266 | prodrug |
| CHEBI has role | CHEBI:50629 | cyclooxygenase 2 inhibitor |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Rheumatoid arthritis | indication | 69896004 | DOID:7148 |
| Osteoarthritis | indication | 396275006 | |
| Ankylosing spondylitis | off-label use | 9631008 | DOID:7147 |
| Juvenile rheumatoid arthritis | off-label use | 410795001 | |
| Alcoholism | contraindication | 7200002 | |
| Peptic ulcer | contraindication | 13200003 | DOID:750 |
| Acute gastric ulcer with perforation | contraindication | 19850005 | |
| Myocardial infarction | contraindication | 22298006 | DOID:5844 |
| Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
| Gastrointestinal ulcer | contraindication | 40845000 | |
| Disorder of cardiovascular system | contraindication | 49601007 | DOID:1287 |
| Acute nephropathy | contraindication | 58574008 | |
| Blood coagulation disorder | contraindication | 64779008 | DOID:1247 |
| Gastrointestinal hemorrhage | contraindication | 74474003 | |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Coronary artery bypass graft | contraindication | 232717009 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Pregnancy, function | contraindication | 289908002 | |
| Cardiovascular event risk | contraindication | 395112001 | |
| Smokes tobacco daily | contraindication | 449868002 |
None
None
None
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | Enzyme | INHIBITOR | CHEMBL | CHEMBL | |||||
| Prostaglandin G/H synthase 1 | Enzyme | IC50 | 3.34 | WOMBAT-PK | |||||
| Sodium-dependent noradrenaline transporter | Transporter | Ki | 5.73 | DRUG MATRIX | |||||
| Cytochrome P450 1A2 | Enzyme | IC50 | 5.30 | DRUG MATRIX | |||||
| Amine oxidase [flavin-containing] A | Enzyme | IC50 | 6.00 | DRUG MATRIX |
| ID | Source |
|---|---|
| 4020284 | VUID |
| N0000148161 | NUI |
| D00425 | KEGG_DRUG |
| 4020284 | VANDF |
| C0068334 | UMLSCUI |
| CHEBI:7443 | CHEBI |
| NBO | PDB_CHEM_ID |
| CHEMBL1070 | ChEMBL_ID |
| DB00461 | DRUGBANK_ID |
| D000077430 | MESH_DESCRIPTOR_UI |
| 4409 | PUBCHEM_CID |
| 7245 | IUPHAR_LIGAND_ID |
| 4855 | INN_ID |
| LW0TIW155Z | UNII |
| 31448 | RXNORM |
| 41877 | MMSL |
| 5142 | MMSL |
| d00310 | MMSL |
| 003622 | NDDF |
| 108508000 | SNOMEDCT_US |
| 386859000 | SNOMEDCT_US |
| LW0TIW155Z | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0115-1657 | TABLET, FILM COATED | 500 mg | ORAL | ANDA | 28 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0115-1658 | TABLET, FILM COATED | 750 mg | ORAL | ANDA | 28 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0440-5843 | TABLET, FILM COATED | 500 mg | ORAL | ANDA | 26 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0440-5844 | TABLET, FILM COATED | 750 mg | ORAL | ANDA | 26 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0591-3670 | TABLET, FILM COATED | 500 mg | ORAL | ANDA | 26 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0591-3671 | TABLET, FILM COATED | 750 mg | ORAL | ANDA | 26 sections |
| Nabumetone 500 mg | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0722-7076 | TABLET, FILM COATED | 500 mg | ORAL | ANDA | 28 sections |
| Nabumetone 750 mg | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0722-7077 | TABLET, FILM COATED | 750 mg | ORAL | ANDA | 28 sections |
| Nabumetone 1000 mg | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0722-7078 | TABLET, FILM COATED | 1000 mg | ORAL | ANDA | 28 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 10544-003 | TABLET, FILM COATED | 500 mg | ORAL | ANDA | 29 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 10544-120 | TABLET, FILM COATED | 500 mg | ORAL | ANDA | 28 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 10544-271 | TABLET, FILM COATED | 750 mg | ORAL | ANDA | 29 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 10544-273 | TABLET | 500 mg | ORAL | ANDA | 25 sections |
| RELAFEN DS | HUMAN PRESCRIPTION DRUG LABEL | 1 | 15370-170 | TABLET | 1000 mg | ORAL | ANDA | 26 sections |
| NABUMETONE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 16590-160 | TABLET | 750 mg | ORAL | ANDA | 25 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 21695-230 | TABLET, FILM COATED | 500 mg | ORAL | ANDA | 29 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 21695-231 | TABLET, FILM COATED | 750 mg | ORAL | ANDA | 29 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 33261-077 | TABLET, FILM COATED | 500 mg | ORAL | ANDA | 28 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 33261-078 | TABLET, FILM COATED | 750 mg | ORAL | ANDA | 29 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 33358-251 | TABLET, FILM COATED | 500 mg | ORAL | ANDA | 29 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 33358-252 | TABLET, FILM COATED | 750 mg | ORAL | ANDA | 29 sections |
| NABUMETONE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 42549-523 | TABLET, FILM COATED | 500 mg | ORAL | ANDA | 23 sections |
| NABUMETONE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 42549-648 | TABLET, FILM COATED | 750 mg | ORAL | ANDA | 29 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 43063-972 | TABLET, FILM COATED | 500 mg | ORAL | ANDA | 24 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 45865-111 | TABLET | 750 mg | ORAL | ANDA | 22 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 45865-351 | TABLET, FILM COATED | 750 mg | ORAL | ANDA | 29 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 45865-464 | TABLET, FILM COATED | 500 mg | ORAL | ANDA | 29 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 45865-997 | TABLET, FILM COATED | 750 mg | ORAL | ANDA | 28 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 50090-0747 | TABLET, FILM COATED | 500 mg | ORAL | ANDA | 26 sections |
| Nabumetone | HUMAN PRESCRIPTION DRUG LABEL | 1 | 50090-0800 | TABLET, FILM COATED | 750 mg | ORAL | ANDA | 26 sections |