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| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory agents, ibuprofen derivatives | 833 | 22161-81-5 |
| Dose | Unit | Route |
|---|---|---|
| 75 | mg | O |
| 75 | mg | P |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,EIF2AK3,GRK2,PDK1,PDK2,PDK4 | 6 | |||
| kinase-selectivity-class | AXL,EIF2AK3,GRK2,PDK4,PIK3CD | 5 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 1.574 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | High | 1 |
None
| 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 |
|---|---|---|---|---|---|---|
| Tubulointerstitial nephritis | 119.50 | 32.88 | 38 | 2169 | 25305 | 90600935 |
| Pancreatic failure | 81.50 | 32.88 | 16 | 2191 | 1476 | 90624764 |
| Acute kidney injury | 68.77 | 32.88 | 59 | 2148 | 320328 | 90305912 |
| Drug interaction | 67.79 | 32.88 | 55 | 2152 | 276398 | 90349842 |
| Angioedema | 63.05 | 32.88 | 31 | 2176 | 64845 | 90561395 |
| Coagulopathy | 62.84 | 32.88 | 23 | 2184 | 23266 | 90602974 |
| Hepatic cytolysis | 59.96 | 32.88 | 24 | 2183 | 30892 | 90595348 |
| Hyperbilirubinaemia | 53.89 | 32.88 | 18 | 2189 | 13918 | 90612322 |
| Hepatic perfusion disorder | 51.36 | 32.88 | 7 | 2200 | 62 | 90626178 |
| Lichen planus | 45.05 | 32.88 | 11 | 2196 | 2780 | 90623460 |
| Neutrophil toxic granulation present | 44.69 | 32.88 | 7 | 2200 | 172 | 90626068 |
| Toxicity to various agents | 38.69 | 32.88 | 41 | 2166 | 287805 | 90338435 |
| Hyperamylasaemia | 36.89 | 32.88 | 7 | 2200 | 539 | 90625701 |
| Anaphylactic reaction | 36.35 | 32.88 | 24 | 2183 | 87500 | 90538740 |
| Jaundice | 35.98 | 32.88 | 17 | 2190 | 32500 | 90593740 |
| 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 |
|---|---|---|---|---|---|---|
| Hyperaesthesia | 123.04 | 30.45 | 32 | 1801 | 5920 | 42613582 |
| Quality of life decreased | 101.96 | 30.45 | 27 | 1806 | 5349 | 42614153 |
| Polyneuropathy in malignant disease | 87.57 | 30.45 | 15 | 1818 | 361 | 42619141 |
| Allodynia | 71.58 | 30.45 | 15 | 1818 | 1079 | 42618423 |
| Sleep deficit | 50.52 | 30.45 | 11 | 1822 | 948 | 42618554 |
| Metastases to lung | 47.39 | 30.45 | 18 | 1815 | 11406 | 42608096 |
| Acute kidney injury | 44.86 | 30.45 | 66 | 1767 | 367271 | 42252231 |
| Application site pain | 40.82 | 30.45 | 11 | 1822 | 2318 | 42617184 |
| Dermatitis allergic | 37.48 | 30.45 | 14 | 1819 | 8469 | 42611033 |
| Application site erythema | 35.20 | 30.45 | 10 | 1823 | 2556 | 42616946 |
| Drug dependence | 34.02 | 30.45 | 19 | 1814 | 29075 | 42590427 |
| Metastases to bone | 33.08 | 30.45 | 15 | 1818 | 14794 | 42604708 |
| 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 |
|---|---|---|---|---|---|---|
| Acute kidney injury | 109.78 | 26.12 | 125 | 3922 | 635305 | 109949947 |
| Hyperaesthesia | 99.35 | 26.12 | 32 | 4015 | 14695 | 110570557 |
| Tubulointerstitial nephritis | 91.41 | 26.12 | 43 | 4004 | 54241 | 110531011 |
| Polyneuropathy in malignant disease | 85.65 | 26.12 | 15 | 4032 | 486 | 110584766 |
| Drug interaction | 85.53 | 26.12 | 98 | 3949 | 500085 | 110085167 |
| Quality of life decreased | 84.30 | 26.12 | 28 | 4019 | 14141 | 110571111 |
| Hyperbilirubinaemia | 76.45 | 26.12 | 32 | 4015 | 30639 | 110554613 |
| Pancreatic failure | 67.71 | 26.12 | 16 | 4031 | 2338 | 110582914 |
| Allodynia | 64.34 | 26.12 | 15 | 4032 | 2068 | 110583184 |
| Hepatic cytolysis | 64.22 | 26.12 | 34 | 4013 | 55019 | 110530233 |
| Angioedema | 62.46 | 26.12 | 41 | 4006 | 98459 | 110486793 |
| Coagulopathy | 55.59 | 26.12 | 28 | 4019 | 40883 | 110544369 |
| Hypocoagulable state | 50.97 | 26.12 | 13 | 4034 | 2602 | 110582650 |
| Hepatic perfusion disorder | 48.40 | 26.12 | 7 | 4040 | 63 | 110585189 |
| Sleep deficit | 45.43 | 26.12 | 11 | 4036 | 1781 | 110583471 |
| Drug reaction with eosinophilia and systemic symptoms | 42.13 | 26.12 | 30 | 4017 | 82065 | 110503187 |
| Hyperkalaemia | 40.38 | 26.12 | 36 | 4011 | 135760 | 110449492 |
| Neutrophil toxic granulation present | 39.55 | 26.12 | 7 | 4040 | 241 | 110585011 |
| Hepatitis cholestatic | 39.35 | 26.12 | 17 | 4030 | 17549 | 110567703 |
| Metastases to lung | 37.96 | 26.12 | 18 | 4029 | 23045 | 110562207 |
| Application site pain | 33.23 | 26.12 | 11 | 4036 | 5488 | 110579764 |
| Dermatitis allergic | 32.86 | 26.12 | 16 | 4031 | 21708 | 110563544 |
| Toxicity to various agents | 32.69 | 26.12 | 61 | 3986 | 480494 | 110104758 |
| Upper gastrointestinal haemorrhage | 32.09 | 26.12 | 21 | 4026 | 50075 | 110535177 |
| Hepatocellular injury | 31.88 | 26.12 | 21 | 4026 | 50621 | 110534631 |
| Bradyphrenia | 31.79 | 26.12 | 13 | 4034 | 11715 | 110573537 |
| Lichen planus | 29.64 | 26.12 | 9 | 4038 | 3401 | 110581851 |
| Intentional overdose | 29.60 | 26.12 | 30 | 4017 | 132471 | 110452781 |
| Application site erythema | 29.08 | 26.12 | 10 | 4037 | 5600 | 110579652 |
| Hyperamylasaemia | 28.43 | 26.12 | 7 | 4040 | 1214 | 110584038 |
| Drug dependence | 27.32 | 26.12 | 19 | 4028 | 50001 | 110535251 |
| Fracture displacement | 27.13 | 26.12 | 7 | 4040 | 1465 | 110583787 |
| Urea renal clearance decreased | 27.10 | 26.12 | 4 | 4043 | 42 | 110585210 |
| Metabolic acidosis | 26.81 | 26.12 | 25 | 4022 | 99719 | 110485533 |
| Glaucoma | 26.50 | 26.12 | 14 | 4033 | 22503 | 110562749 |
| Benign prostatic hyperplasia | 26.29 | 26.12 | 13 | 4034 | 18221 | 110567031 |
| Chronic kidney disease | 26.25 | 26.12 | 22 | 4025 | 76269 | 110508983 |
None
| Source | Code | Description |
|---|---|---|
| ATC | M01AE17 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Propionic acid derivatives |
| ATC | M02AA27 | MUSCULO-SKELETAL SYSTEM TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN Antiinflammatory preparations, non-steroids for topical use |
| ATC | N02AJ14 | NERVOUS SYSTEM ANALGESICS OPIOIDS Opioids in combination with non-opioid analgesics |
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D018501 | Antirheumatic Agents |
| MeSH PA | D018689 | Sensory System Agents |
| MeSH PA | D018712 | Analgesics, Non-Narcotic |
| CHEBI has role | CHEBI:35475 | non-steroidal anti-inflammatory drug |
| CHEBI has role | CHEBI:35480 | analgesic |
| CHEBI has role | CHEBI:35481 | non-narcotic analgesic |
| CHEBI has role | CHEBI:50629 | cyclooxygenase 2 inhibitor |
| CHEBI has role | CHEBI:50630 | cyclooxygenase 1 inhibitor |
| CHEBI has role | CHEBI:73336 | vulnerary |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.28 | acidic |
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 | IC50 | 7.57 | CHEMBL | KEGG DRUG | |||
| Prostaglandin G/H synthase 1 | Enzyme | INHIBITOR | IC50 | 8.72 | CHEMBL | KEGG DRUG |
| ID | Source |
|---|---|
| 6KD9E78X68 | UNII |
| D07269 | KEGG_DRUG |
| 233386 | RXNORM |
| C0772505 | UMLSCUI |
| CHEBI:76128 | CHEBI |
| 9KL | PDB_CHEM_ID |
| CHEMBL75435 | ChEMBL_ID |
| 667550 | PUBCHEM_CID |
| DB09214 | DRUGBANK_ID |
| 7120 | INN_ID |
| C118296 | MESH_SUPPLEMENTAL_RECORD_UI |
| 007781 | NDDF |
| 007782 | NDDF |
| 329961001 | SNOMEDCT_US |
| 396018005 | SNOMEDCT_US |
| 427618005 | SNOMEDCT_US |
| 6KD9E78X68 | INXIGHT DRUGS |
None