Stem definition | Drug id | CAS RN |
---|---|---|
selective cyclo-oxygenase inhibitors | 1113 | 202409-33-4 |
Dose | Unit | Route |
---|---|---|
60 | mg | O |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 0.14 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) | 4.78 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 99 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 1.50 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 0.79 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.08 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 26 hours | Lombardo F, Berellini G, Obach RS |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 1, 1998 | YEAR INTRODUCED |
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 |
---|---|---|---|---|---|---|
Labelled drug-drug interaction medication error | 53.42 | 16.34 | 27 | 7028 | 11559 | 56273453 |
Fixed eruption | 43.57 | 16.34 | 12 | 7043 | 931 | 56284081 |
Apraxia | 40.53 | 16.34 | 13 | 7042 | 1706 | 56283306 |
Drug abuse | 38.71 | 16.34 | 45 | 7010 | 67565 | 56217447 |
Disorientation | 36.75 | 16.34 | 33 | 7022 | 36580 | 56248432 |
Inflammatory marker increased | 36.54 | 16.34 | 17 | 7038 | 6073 | 56278939 |
Spinal pain | 36.09 | 16.34 | 21 | 7034 | 11863 | 56273149 |
Perseveration | 35.97 | 16.34 | 8 | 7047 | 255 | 56284757 |
Chronic gastritis | 35.37 | 16.34 | 13 | 7042 | 2565 | 56282447 |
Axial spondyloarthritis | 35.33 | 16.34 | 8 | 7047 | 277 | 56284735 |
Thrombocytosis | 32.27 | 16.34 | 15 | 7040 | 5347 | 56279665 |
Acquired porphyria | 31.31 | 16.34 | 5 | 7050 | 23 | 56284989 |
Porphyrins urine increased | 31.31 | 16.34 | 5 | 7050 | 23 | 56284989 |
Lumbar vertebral fracture | 30.23 | 16.34 | 14 | 7041 | 4950 | 56280062 |
Porphyrins stool increased | 30.20 | 16.34 | 5 | 7050 | 30 | 56284982 |
Joint contracture | 28.70 | 16.34 | 10 | 7045 | 1692 | 56283320 |
Synovial disorder | 28.57 | 16.34 | 9 | 7046 | 1114 | 56283898 |
Synovectomy | 27.56 | 16.34 | 6 | 7049 | 173 | 56284839 |
Meteoropathy | 26.40 | 16.34 | 4 | 7051 | 12 | 56285000 |
Polymyalgia rheumatica | 26.24 | 16.34 | 11 | 7044 | 3071 | 56281941 |
Drug interaction | 25.97 | 16.34 | 71 | 6984 | 209684 | 56075328 |
Thoracic vertebral fracture | 25.89 | 16.34 | 12 | 7043 | 4251 | 56280761 |
Postoperative delirium | 25.43 | 16.34 | 5 | 7050 | 86 | 56284926 |
Porphyria non-acute | 24.50 | 16.34 | 6 | 7049 | 293 | 56284719 |
Serum ferritin decreased | 24.27 | 16.34 | 9 | 7046 | 1819 | 56283193 |
Ovulation disorder | 24.02 | 16.34 | 4 | 7051 | 25 | 56284987 |
Spinal fracture | 23.11 | 16.34 | 18 | 7037 | 16406 | 56268606 |
Aortic valve stenosis | 22.73 | 16.34 | 10 | 7045 | 3137 | 56281875 |
Femur fracture | 22.22 | 16.34 | 26 | 7029 | 39269 | 56245743 |
Withdrawal syndrome | 21.26 | 16.34 | 18 | 7037 | 18444 | 56266568 |
Ankylosing spondylitis | 21.14 | 16.34 | 14 | 7041 | 9916 | 56275096 |
Hemianopia | 20.98 | 16.34 | 7 | 7048 | 1039 | 56283973 |
Abdominal pain upper | 20.72 | 16.34 | 59 | 6996 | 178254 | 56106758 |
Intervertebral disc protrusion | 20.68 | 16.34 | 19 | 7036 | 21675 | 56263337 |
Hyperreflexia | 20.65 | 16.34 | 11 | 7044 | 5239 | 56279773 |
Subileus | 20.12 | 16.34 | 9 | 7046 | 2935 | 56282077 |
Renal function test abnormal | 20.04 | 16.34 | 9 | 7046 | 2962 | 56282050 |
Product prescribing error | 19.60 | 16.34 | 19 | 7036 | 23167 | 56261845 |
Urticaria | 18.92 | 16.34 | 50 | 7005 | 144626 | 56140386 |
Allodynia | 18.72 | 16.34 | 6 | 7049 | 785 | 56284227 |
Carotid artery stenosis | 18.50 | 16.34 | 10 | 7045 | 4900 | 56280112 |
Junctional ectopic tachycardia | 18.45 | 16.34 | 4 | 7051 | 113 | 56284899 |
Angioedema | 17.95 | 16.34 | 24 | 7031 | 41429 | 56243583 |
Sopor | 17.41 | 16.34 | 17 | 7038 | 20905 | 56264107 |
Infected fistula | 17.18 | 16.34 | 4 | 7051 | 157 | 56284855 |
Groin pain | 17.11 | 16.34 | 12 | 7043 | 9328 | 56275684 |
Red blood cell sedimentation rate increased | 17.09 | 16.34 | 22 | 7033 | 36601 | 56248411 |
Infusion related reaction | 16.72 | 16.34 | 3 | 7052 | 208928 | 56076084 |
Speech disorder | 16.68 | 16.34 | 22 | 7033 | 37471 | 56247541 |
Alopecia | 16.63 | 16.34 | 8 | 7047 | 293450 | 55991562 |
Substance abuse | 16.45 | 16.34 | 9 | 7046 | 4516 | 56280496 |
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 |
---|---|---|---|---|---|---|
Regurgitation | 74.55 | 19.57 | 21 | 5261 | 1328 | 31690734 |
Oropharyngeal discomfort | 59.96 | 19.57 | 21 | 5261 | 2710 | 31689352 |
Vitamin B12 deficiency | 58.38 | 19.57 | 22 | 5260 | 3497 | 31688565 |
Spinal pain | 53.35 | 19.57 | 23 | 5259 | 5172 | 31686890 |
Eructation | 51.27 | 19.57 | 21 | 5261 | 4158 | 31687904 |
Hepatitis E antibody positive | 49.67 | 19.57 | 11 | 5271 | 256 | 31691806 |
Body mass index abnormal | 49.62 | 19.57 | 10 | 5272 | 145 | 31691917 |
Hepatitis E virus test positive | 48.58 | 19.57 | 11 | 5271 | 284 | 31691778 |
Oral mucosa erosion | 45.51 | 19.57 | 13 | 5269 | 864 | 31691198 |
Mucosal necrosis | 44.26 | 19.57 | 8 | 5274 | 62 | 31692000 |
Antiphospholipid antibodies positive | 43.04 | 19.57 | 10 | 5272 | 290 | 31691772 |
Neck pain | 42.08 | 19.57 | 33 | 5249 | 22877 | 31669185 |
Ligament calcification | 40.57 | 19.57 | 9 | 5273 | 211 | 31691851 |
Palmoplantar pustulosis | 39.76 | 19.57 | 8 | 5274 | 115 | 31691947 |
General physical health deterioration | 38.19 | 19.57 | 68 | 5214 | 113367 | 31578695 |
Suspected transmission of an infectious agent via product | 37.69 | 19.57 | 11 | 5271 | 789 | 31691273 |
Lip erosion | 37.23 | 19.57 | 10 | 5272 | 529 | 31691533 |
Hand fracture | 36.59 | 19.57 | 13 | 5269 | 1748 | 31690314 |
Coating in mouth | 36.52 | 19.57 | 7 | 5275 | 77 | 31691985 |
Death | 36.21 | 19.57 | 8 | 5274 | 360561 | 31331501 |
Ankylosing spondylitis | 35.40 | 19.57 | 18 | 5264 | 5863 | 31686199 |
Respiratory fatigue | 34.96 | 19.57 | 7 | 5275 | 98 | 31691964 |
Product prescribing error | 33.30 | 19.57 | 27 | 5255 | 19615 | 31672447 |
Sacroiliitis | 31.96 | 19.57 | 11 | 5271 | 1347 | 31690715 |
Craniocerebral injury | 30.51 | 19.57 | 13 | 5269 | 2837 | 31689225 |
Helicobacter gastritis | 29.25 | 19.57 | 10 | 5272 | 1200 | 31690862 |
Otitis media | 28.23 | 19.57 | 12 | 5270 | 2604 | 31689458 |
Systemic infection | 28.13 | 19.57 | 13 | 5269 | 3436 | 31688626 |
Pregnancy of partner | 27.09 | 19.57 | 7 | 5275 | 318 | 31691744 |
Psoriatic arthropathy | 26.88 | 19.57 | 24 | 5258 | 19859 | 31672203 |
Gastrointestinal inflammation | 25.82 | 19.57 | 12 | 5270 | 3213 | 31688849 |
Chronic idiopathic pain syndrome | 24.37 | 19.57 | 4 | 5278 | 16 | 31692046 |
Immune-mediated adverse reaction | 24.15 | 19.57 | 7 | 5275 | 490 | 31691572 |
Poor peripheral circulation | 23.95 | 19.57 | 9 | 5273 | 1418 | 31690644 |
Costovertebral angle tenderness | 23.64 | 19.57 | 5 | 5277 | 93 | 31691969 |
Oral pruritus | 23.15 | 19.57 | 6 | 5276 | 276 | 31691786 |
Formication | 23.02 | 19.57 | 9 | 5273 | 1578 | 31690484 |
Peritoneal adhesions | 22.01 | 19.57 | 5 | 5277 | 131 | 31691931 |
Prerenal failure | 21.67 | 19.57 | 9 | 5273 | 1844 | 31690218 |
Axial spondyloarthritis | 21.66 | 19.57 | 6 | 5276 | 356 | 31691706 |
Personality change | 21.32 | 19.57 | 12 | 5270 | 4783 | 31687279 |
Hypercholesterolaemia | 20.22 | 19.57 | 14 | 5268 | 8016 | 31684046 |
Polyneuropathy | 20.19 | 19.57 | 17 | 5265 | 13005 | 31679057 |
Mucosal ulceration | 19.77 | 19.57 | 7 | 5275 | 931 | 31691131 |
Intensive care unit acquired weakness | 19.60 | 19.57 | 7 | 5275 | 955 | 31691107 |
Toxic epidermal necrolysis | 19.60 | 19.57 | 20 | 5262 | 19504 | 31672558 |
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 |
---|---|---|---|---|---|---|
Spinal pain | 58.91 | 14.87 | 33 | 11187 | 13737 | 70903487 |
Regurgitation | 56.89 | 14.87 | 19 | 11201 | 2237 | 70914987 |
Oral mucosa erosion | 53.15 | 14.87 | 17 | 11203 | 1748 | 70915476 |
Product prescribing error | 52.71 | 14.87 | 46 | 11174 | 38906 | 70878318 |
Hepatitis E antibody positive | 50.19 | 14.87 | 11 | 11209 | 257 | 70916967 |
Hepatitis E virus test positive | 49.29 | 14.87 | 11 | 11209 | 280 | 70916944 |
Body mass index abnormal | 45.78 | 14.87 | 10 | 11210 | 230 | 70916994 |
Ankylosing spondylitis | 42.06 | 14.87 | 25 | 11195 | 11621 | 70905603 |
Perseveration | 41.15 | 14.87 | 10 | 11210 | 372 | 70916852 |
Ligament calcification | 41.00 | 14.87 | 9 | 11211 | 212 | 70917012 |
Lip erosion | 40.43 | 14.87 | 13 | 11207 | 1359 | 70915865 |
Mucosal necrosis | 40.17 | 14.87 | 8 | 11212 | 115 | 70917109 |
Inflammatory marker increased | 39.06 | 14.87 | 22 | 11198 | 9252 | 70907972 |
Vitamin B12 deficiency | 38.99 | 14.87 | 19 | 11201 | 5953 | 70911271 |
Oropharyngeal discomfort | 38.66 | 14.87 | 19 | 11201 | 6060 | 70911164 |
Immune-mediated adverse reaction | 37.89 | 14.87 | 11 | 11209 | 816 | 70916408 |
General physical health deterioration | 37.03 | 14.87 | 101 | 11119 | 235930 | 70681294 |
Fixed eruption | 36.36 | 14.87 | 14 | 11206 | 2482 | 70914742 |
Suspected transmission of an infectious agent via product | 34.70 | 14.87 | 11 | 11209 | 1098 | 70916126 |
Coating in mouth | 34.46 | 14.87 | 8 | 11212 | 244 | 70916980 |
Thrombocytosis | 34.24 | 14.87 | 19 | 11201 | 7765 | 70909459 |
Labelled drug-drug interaction medication error | 33.66 | 14.87 | 29 | 11191 | 24098 | 70893126 |
Polymyalgia rheumatica | 33.54 | 14.87 | 15 | 11205 | 3871 | 70913353 |
Lumbar vertebral fracture | 33.05 | 14.87 | 17 | 11203 | 5970 | 70911254 |
Antiphospholipid antibodies positive | 30.68 | 14.87 | 9 | 11211 | 692 | 70916532 |
Thoracic vertebral fracture | 30.48 | 14.87 | 15 | 11205 | 4799 | 70912425 |
Eructation | 30.25 | 14.87 | 19 | 11201 | 9741 | 70907483 |
Synovectomy | 29.74 | 14.87 | 7 | 11213 | 227 | 70916997 |
Drug interaction | 29.57 | 14.87 | 129 | 11091 | 381312 | 70535912 |
Sacroiliitis | 29.43 | 14.87 | 13 | 11207 | 3260 | 70913964 |
Porphyrins urine increased | 29.18 | 14.87 | 5 | 11215 | 29 | 70917195 |
Respiratory fatigue | 29.00 | 14.87 | 7 | 11213 | 253 | 70916971 |
Death | 28.97 | 14.87 | 23 | 11197 | 510038 | 70407186 |
Apraxia | 28.53 | 14.87 | 12 | 11208 | 2671 | 70914553 |
Skin hyperpigmentation | 28.47 | 14.87 | 16 | 11204 | 6699 | 70910525 |
Chronic gastritis | 28.20 | 14.87 | 13 | 11207 | 3600 | 70913624 |
Palmoplantar pustulosis | 28.13 | 14.87 | 8 | 11212 | 551 | 70916673 |
Acquired porphyria | 28.13 | 14.87 | 5 | 11215 | 37 | 70917187 |
Haemophilic arthropathy | 27.76 | 14.87 | 6 | 11214 | 131 | 70917093 |
Porphyrins stool increased | 27.36 | 14.87 | 5 | 11215 | 44 | 70917180 |
Synovial disorder | 26.67 | 14.87 | 9 | 11211 | 1094 | 70916130 |
Helicobacter gastritis | 26.54 | 14.87 | 11 | 11209 | 2360 | 70914864 |
Meteoropathy | 25.47 | 14.87 | 4 | 11216 | 12 | 70917212 |
Craniocerebral injury | 25.24 | 14.87 | 13 | 11207 | 4578 | 70912646 |
Toxic epidermal necrolysis | 24.89 | 14.87 | 31 | 11189 | 39526 | 70877698 |
Pregnancy of partner | 24.08 | 14.87 | 6 | 11214 | 248 | 70916976 |
Chronic idiopathic pain syndrome | 23.84 | 14.87 | 4 | 11216 | 20 | 70917204 |
Femur fracture | 23.84 | 14.87 | 29 | 11191 | 36103 | 70881121 |
Joint contracture | 23.37 | 14.87 | 10 | 11210 | 2322 | 70914902 |
Neck pain | 22.59 | 14.87 | 39 | 11181 | 66618 | 70850606 |
Poor peripheral circulation | 22.48 | 14.87 | 11 | 11209 | 3474 | 70913750 |
Tongue oedema | 21.47 | 14.87 | 13 | 11207 | 6246 | 70910978 |
Completed suicide | 21.11 | 14.87 | 5 | 11215 | 227130 | 70690094 |
Systemic infection | 20.73 | 14.87 | 13 | 11207 | 6644 | 70910580 |
Toxicity to various agents | 20.73 | 14.87 | 18 | 11202 | 382154 | 70535070 |
Renal function test abnormal | 20.61 | 14.87 | 11 | 11209 | 4163 | 70913061 |
Hand fracture | 20.51 | 14.87 | 12 | 11208 | 5415 | 70911809 |
Axial spondyloarthritis | 20.20 | 14.87 | 6 | 11214 | 482 | 70916742 |
Drug abuse | 20.12 | 14.87 | 60 | 11160 | 147196 | 70770028 |
Urticaria | 20.02 | 14.87 | 64 | 11156 | 162985 | 70754239 |
Otitis media | 19.89 | 14.87 | 12 | 11208 | 5727 | 70911497 |
Disorientation | 19.77 | 14.87 | 34 | 11186 | 57889 | 70859335 |
Spinal fracture | 19.69 | 14.87 | 18 | 11202 | 16149 | 70901075 |
Hemianopia | 19.58 | 14.87 | 8 | 11212 | 1657 | 70915567 |
Postoperative delirium | 19.50 | 14.87 | 5 | 11215 | 232 | 70916992 |
Hyperreflexia | 19.41 | 14.87 | 13 | 11207 | 7429 | 70909795 |
Costovertebral angle tenderness | 19.40 | 14.87 | 5 | 11215 | 237 | 70916987 |
pH body fluid increased | 18.94 | 14.87 | 4 | 11216 | 78 | 70917146 |
Sopor | 18.87 | 14.87 | 24 | 11196 | 31243 | 70885981 |
Intervertebral disc protrusion | 18.84 | 14.87 | 20 | 11200 | 21483 | 70895741 |
Spondylolisthesis | 18.17 | 14.87 | 9 | 11211 | 2917 | 70914307 |
Gastrointestinal inflammation | 18.15 | 14.87 | 12 | 11208 | 6711 | 70910513 |
Porphyria non-acute | 17.71 | 14.87 | 6 | 11214 | 738 | 70916486 |
Cardiac valve sclerosis | 17.63 | 14.87 | 4 | 11216 | 110 | 70917114 |
Peritoneal adhesions | 17.60 | 14.87 | 5 | 11215 | 343 | 70916881 |
Gastrointestinal submucosal tumour | 17.17 | 14.87 | 4 | 11216 | 124 | 70917100 |
Infusion related reaction | 17.12 | 14.87 | 5 | 11215 | 197529 | 70719695 |
Prerenal failure | 16.93 | 14.87 | 9 | 11211 | 3377 | 70913847 |
Withdrawal syndrome | 16.45 | 14.87 | 20 | 11200 | 24884 | 70892340 |
Aortic valve stenosis | 16.24 | 14.87 | 10 | 11210 | 4949 | 70912275 |
Face oedema | 15.98 | 14.87 | 20 | 11200 | 25619 | 70891605 |
Gastrointestinal ulcer perforation | 15.89 | 14.87 | 3 | 11217 | 32 | 70917192 |
Urethral stenosis | 15.82 | 14.87 | 6 | 11214 | 1021 | 70916203 |
Intensive care unit acquired weakness | 15.81 | 14.87 | 7 | 11213 | 1764 | 70915460 |
Subileus | 15.76 | 14.87 | 10 | 11210 | 5217 | 70912007 |
Mucosal ulceration | 15.70 | 14.87 | 7 | 11213 | 1794 | 70915430 |
Psychotic behaviour | 15.51 | 14.87 | 6 | 11214 | 1076 | 70916148 |
Angioedema | 15.23 | 14.87 | 33 | 11187 | 66577 | 70850647 |
Gamma-glutamyltransferase increased | 15.05 | 14.87 | 28 | 11192 | 50657 | 70866567 |
Weight increased | 14.93 | 14.87 | 10 | 11210 | 242321 | 70674903 |
None
Source | Code | Description |
---|---|---|
ATC | M01AH05 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Coxibs |
MeSH PA | D000700 | Analgesics |
MeSH PA | D018712 | Analgesics, Non-Narcotic |
MeSH PA | D000893 | Anti-Inflammatory Agents |
MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
MeSH PA | D018501 | Antirheumatic Agents |
MeSH PA | D052246 | Cyclooxygenase 2 Inhibitors |
MeSH PA | D016861 | Cyclooxygenase Inhibitors |
MeSH PA | D004791 | Enzyme Inhibitors |
MeSH PA | D018373 | Peripheral Nervous System Agents |
MeSH PA | D018689 | Sensory System Agents |
CHEBI has role | CHEBI:35475 | non-steroidal anti-inflammatory agent |
CHEBI has role | CHEBI:50629 | COX-2 inhibitor |
None
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 4.6 | Basic |
pKa2 | 1.75 | Basic |
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 | 6.10 | WOMBAT-PK | IUPHAR | |||
Prostaglandin G/H synthase 1 | Enzyme | IC50 | 4.92 | CHEMBL | |||||
Prostaglandin E2 receptor EP2 subtype | GPCR | Ki | 7.10 | PDSP | |||||
Mitogen-activated protein kinase 14 | Kinase | IC50 | 6.28 | CHEMBL | |||||
Prostaglandin G/H synthase 2 | Enzyme | IC50 | 6.64 | CHEMBL |
ID | Source |
---|---|
D03710 | KEGG_DRUG |
C0972314 | UMLSCUI |
CHEBI:6339 | CHEBI |
5CH | PDB_CHEM_ID |
CHEMBL416146 | ChEMBL_ID |
DB01628 | DRUGBANK_ID |
D000077613 | MESH_DESCRIPTOR_UI |
123619 | PUBCHEM_CID |
2896 | IUPHAR_LIGAND_ID |
8082 | INN_ID |
WRX4NFY03R | UNII |
307296 | RXNORM |
009633 | NDDF |
395292007 | SNOMEDCT_US |
409134009 | SNOMEDCT_US |
None