Stem definition | Drug id | CAS RN |
---|---|---|
anti-inflammatory agents, ibuprofen derivatives | 1528 | 22071-15-4 |
Dose | Unit | Route |
---|---|---|
0.15 | g | O |
0.15 | g | P |
0.15 | g | R |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 0.18 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 0.50 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 19.66 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 90 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 0.13 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 1.60 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.01 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 2.10 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 9, 1986 | 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 |
---|---|---|---|---|---|---|
Acute kidney injury | 258.91 | 50.09 | 81 | 712 | 28041 | 2329251 |
Temperature regulation disorder | 236.29 | 50.09 | 32 | 761 | 129 | 2357163 |
Food allergy | 199.65 | 50.09 | 33 | 760 | 598 | 2356694 |
Erythema | 191.96 | 50.09 | 63 | 730 | 25096 | 2332196 |
Coeliac disease | 190.54 | 50.09 | 33 | 760 | 799 | 2356493 |
Immunodeficiency | 182.06 | 50.09 | 33 | 760 | 1043 | 2356249 |
Bursitis | 157.25 | 50.09 | 32 | 761 | 1876 | 2355416 |
Asthma | 152.63 | 50.09 | 44 | 749 | 11270 | 2346022 |
Rash erythematous | 140.30 | 50.09 | 36 | 757 | 5940 | 2351352 |
Hepatic enzyme increased | 131.55 | 50.09 | 38 | 755 | 9764 | 2347528 |
Drug hypersensitivity | 123.65 | 50.09 | 54 | 739 | 46589 | 2310703 |
Hypersensitivity | 117.09 | 50.09 | 43 | 750 | 23550 | 2333742 |
Fluid retention | 115.67 | 50.09 | 32 | 761 | 7014 | 2350278 |
Hyperhidrosis | 114.58 | 50.09 | 38 | 755 | 15384 | 2341908 |
Hepatitis | 109.64 | 50.09 | 30 | 763 | 6307 | 2350985 |
Back pain | 108.25 | 50.09 | 44 | 749 | 31615 | 2325677 |
Constipation | 105.70 | 50.09 | 39 | 754 | 21590 | 2335702 |
Upper respiratory tract infection | 104.07 | 50.09 | 31 | 762 | 8820 | 2348472 |
Vomiting | 98.74 | 50.09 | 53 | 740 | 71549 | 2285743 |
Hepatocellular injury | 97.83 | 50.09 | 25 | 768 | 4030 | 2353262 |
Melaena | 87.79 | 50.09 | 23 | 770 | 4083 | 2353209 |
Rheumatoid arthritis | 84.23 | 50.09 | 32 | 761 | 19108 | 2338184 |
Angioedema | 79.83 | 50.09 | 25 | 768 | 8371 | 2348921 |
Urticaria | 73.50 | 50.09 | 31 | 762 | 24230 | 2333062 |
Poisoning deliberate | 69.26 | 50.09 | 15 | 778 | 1176 | 2356116 |
Pain | 69.16 | 50.09 | 40 | 753 | 61817 | 2295475 |
Suicide attempt | 68.70 | 50.09 | 24 | 769 | 11258 | 2346034 |
Intentional overdose | 68.62 | 50.09 | 24 | 769 | 11297 | 2345995 |
Peripheral nerve injury | 67.88 | 50.09 | 10 | 783 | 80 | 2357212 |
Aspirin-exacerbated respiratory disease | 67.17 | 50.09 | 11 | 782 | 185 | 2357107 |
Headache | 66.98 | 50.09 | 43 | 750 | 80136 | 2277156 |
Abdominal pain upper | 62.78 | 50.09 | 27 | 766 | 22073 | 2335219 |
Lactic acidosis | 59.63 | 50.09 | 18 | 775 | 5312 | 2351980 |
Overdose | 55.46 | 50.09 | 24 | 769 | 19883 | 2337409 |
Fatigue | 55.17 | 50.09 | 39 | 754 | 84834 | 2272458 |
Intentional self-injury | 55.17 | 50.09 | 16 | 777 | 4111 | 2353181 |
Nasal disorder | 54.57 | 50.09 | 10 | 783 | 331 | 2356961 |
Spinal epidural haemorrhage | 54.26 | 50.09 | 7 | 786 | 17 | 2357275 |
Hepatitis cholestatic | 53.07 | 50.09 | 12 | 781 | 1145 | 2356147 |
Toxicity to various agents | 52.64 | 50.09 | 27 | 766 | 32727 | 2324565 |
Cholestasis | 52.29 | 50.09 | 15 | 778 | 3706 | 2353586 |
Somnolence | 51.65 | 50.09 | 24 | 769 | 23461 | 2333831 |
Toxic epidermal necrolysis | 50.17 | 50.09 | 14 | 779 | 3130 | 2354162 |
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 | 187.95 | 52.61 | 75 | 649 | 34869 | 1711188 |
Angioedema | 129.11 | 52.61 | 41 | 683 | 9623 | 1736434 |
Vomiting | 100.54 | 52.61 | 50 | 674 | 38265 | 1707792 |
Erythema | 91.49 | 52.61 | 35 | 689 | 14153 | 1731904 |
Pruritus | 87.54 | 52.61 | 39 | 685 | 23183 | 1722874 |
Poisoning deliberate | 85.27 | 52.61 | 18 | 706 | 824 | 1745233 |
Coma | 73.32 | 52.61 | 25 | 699 | 7237 | 1738820 |
Vascular purpura | 71.01 | 52.61 | 13 | 711 | 280 | 1745777 |
Melaena | 64.78 | 52.61 | 21 | 703 | 5189 | 1740868 |
Eyelid oedema | 61.67 | 52.61 | 15 | 709 | 1298 | 1744759 |
Hepatitis cholestatic | 56.51 | 52.61 | 14 | 710 | 1307 | 1744750 |
Source | Code | Description |
---|---|---|
ATC | M01AE03 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Propionic acid derivatives |
ATC | M01AE53 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Propionic acid derivatives |
ATC | M02AA10 | MUSCULO-SKELETAL SYSTEM TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN Antiinflammatory preparations, non-steroids for topical use |
FDA Chemical/Ingredient | N0000175721 | Nonsteroidal Anti-inflammatory Compounds |
FDA EPC | N0000175722 | Nonsteroidal Anti-inflammatory Drug |
MeSH PA | D000700 | Analgesics |
MeSH PA | D018712 | Analgesics, Non-Narcotic |
CHEBI has role | CHEBI:88188 | drug allergen |
CHEBI has role | CHEBI:35475 | non-steroidal anti-inflammatory drug |
CHEBI has role | CHEBI:35493 | antipyretic |
MeSH PA | D000893 | Anti-Inflammatory Agents |
MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
MeSH PA | D018501 | Antirheumatic Agents |
MeSH PA | D016861 | Cyclooxygenase Inhibitors |
MeSH PA | D004791 | Enzyme Inhibitors |
MeSH PA | D018373 | Peripheral Nervous System Agents |
MeSH PA | D018689 | Sensory System Agents |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Pain | indication | 22253000 | |
Rheumatoid arthritis | indication | 69896004 | DOID:7148 |
Dysmenorrhea | indication | 266599000 | |
Osteoarthritis | indication | 396275006 | |
Ankylosing spondylitis | off-label use | 9631008 | DOID:7147 |
Gout | off-label use | 90560007 | DOID:13189 |
Vascular headache | off-label use | 128187005 | |
Peptic ulcer | contraindication | 13200003 | DOID:750 |
Myocardial infarction | contraindication | 22298006 | DOID:5844 |
Hypertensive disorder | contraindication | 38341003 | DOID:10763 |
Gastrointestinal ulcer | contraindication | 40845000 | |
Chronic heart failure | contraindication | 48447003 | |
Disorder of cardiovascular system | contraindication | 49601007 | DOID:1287 |
Hepatic failure | contraindication | 59927004 | |
Blood coagulation disorder | contraindication | 64779008 | DOID:1247 |
Gastrointestinal hemorrhage | contraindication | 74474003 | |
Kidney disease | contraindication | 90708001 | DOID:557 |
Hypoalbuminemia | contraindication | 119247004 | |
Coronary artery bypass graft | contraindication | 232717009 | |
Pregnancy, function | contraindication | 289908002 | |
Cardiovascular event risk | contraindication | 395112001 | |
Smokes tobacco daily | contraindication | 449868002 |
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 1 | Enzyme | INHIBITOR | IC50 | 7.33 | WOMBAT-PK | CHEMBL | |||
Prostaglandin G/H synthase 2 | Enzyme | INHIBITOR | IC50 | 6.62 | WOMBAT-PK | CHEMBL | |||
Cyclooxygenase | Enzyme | IC50 | 5.47 | CHEMBL | |||||
Prostaglandin G/H synthase 1 | Enzyme | IC50 | 6.10 | CHEMBL |
ID | Source |
---|---|
4018064 | VUID |
N0000146405 | NUI |
C0022635 | UMLSCUI |
D00132 | KEGG_DRUG |
10099000 | SNOMEDCT_US |
3365 | MMSL |
6142 | RXNORM |
386832008 | SNOMEDCT_US |
4946 | MMSL |
d00028 | MMSL |
4018064 | VANDF |
002394 | NDDF |
90Y4QC304K | UNII |
3284 | INN_ID |
CHEBI:6128 | CHEBI |
CHEMBL571 | ChEMBL_ID |
DB01009 | DRUGBANK_ID |
3825 | PUBCHEM_CID |
D007660 | MESH_DESCRIPTOR_UI |
4795 | IUPHAR_LIGAND_ID |
Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
---|---|---|---|---|---|---|---|---|
Ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0378-8200 | CAPSULE, EXTENDED RELEASE | 200 mg | ORAL | ANDA | 13 sections |
KETOPROFEN | HUMAN PRESCRIPTION DRUG LABEL | 1 | 16590-136 | CAPSULE | 50 mg | ORAL | ANDA | 13 sections |
KETOPROFEN | HUMAN PRESCRIPTION DRUG LABEL | 1 | 16590-137 | CAPSULE | 75 mg | ORAL | ANDA | 13 sections |
Ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 21695-340 | CAPSULE | 50 mg | ORAL | ANDA | 13 sections |
Ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 21695-341 | CAPSULE | 75 mg | ORAL | ANDA | 13 sections |
ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 23155-020 | CAPSULE | 25 mg | ORAL | ANDA | 13 sections |
ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 23155-021 | CAPSULE | 50 mg | ORAL | ANDA | 13 sections |
ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 23155-022 | CAPSULE | 75 mg | ORAL | ANDA | 13 sections |
Ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 33261-064 | CAPSULE | 75 mg | ORAL | ANDA | 13 sections |
Ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 42254-037 | CAPSULE | 75 mg | ORAL | ANDA | 13 sections |
Ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 45865-379 | CAPSULE | 75 mg | ORAL | ANDA | 13 sections |
Ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 45865-485 | CAPSULE | 50 mg | ORAL | ANDA | 13 sections |
Ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 50090-0453 | CAPSULE | 75 mg | ORAL | ANDA | 13 sections |
Ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 50090-2729 | CAPSULE | 50 mg | ORAL | ANDA | 13 sections |
Ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 52959-245 | CAPSULE | 50 mg | ORAL | ANDA | 13 sections |
Ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 53217-221 | CAPSULE | 50 mg | ORAL | ANDA | 13 sections |
Ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 54868-2414 | CAPSULE | 50 mg | ORAL | ANDA | 13 sections |
Ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 54868-2415 | CAPSULE | 75 mg | ORAL | ANDA | 13 sections |
Ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 54868-4826 | CAPSULE, EXTENDED RELEASE | 200 mg | ORAL | ANDA | 13 sections |
Ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 63187-018 | CAPSULE | 75 mg | ORAL | ANDA | 13 sections |
Ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 67296-0369 | TABLET | 75 mg | ORAL | ANDA | 13 sections |
Ketoprofen | HUMAN PRESCRIPTION DRUG LABEL | 1 | 69336-127 | CAPSULE | 25 mg | ORAL | ANDA | 13 sections |
KETOPHENE | HUMAN PRESCRIPTION DRUG LABEL | 1 | 70332-101 | KIT | 33.50 g | None | unapproved drug other | 2 sections |