Stem definition | Drug id | CAS RN |
---|---|---|
1935 | 51803-78-2 |
Dose | Unit | Route |
---|---|---|
0.20 | 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 | Benet LZ, Broccatelli F, Oprea TI |
EoM (Fraction excreted unchanged in urine) | 2 % | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 9.27 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
Date | Agency | Company | Orphan |
---|---|---|---|
Jan. 1, 1985 | 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 |
---|---|---|---|---|---|---|
Drug abuse | 112.83 | 24.66 | 54 | 2119 | 67556 | 56222338 |
Ductus arteriosus stenosis foetal | 85.36 | 24.66 | 13 | 2160 | 162 | 56289732 |
Renal failure neonatal | 84.36 | 24.66 | 13 | 2160 | 176 | 56289718 |
Neonatal respiratory acidosis | 71.03 | 24.66 | 11 | 2162 | 154 | 56289740 |
Cyanosis neonatal | 58.37 | 24.66 | 10 | 2163 | 269 | 56289625 |
Intentional self-injury | 54.22 | 24.66 | 24 | 2149 | 24968 | 56264926 |
Bradycardia neonatal | 52.93 | 24.66 | 11 | 2162 | 846 | 56289048 |
Neonatal respiratory distress syndrome | 49.63 | 24.66 | 13 | 2160 | 2741 | 56287153 |
Gastritis erosive | 40.56 | 24.66 | 13 | 2160 | 5564 | 56284330 |
Maximal voluntary ventilation abnormal | 36.86 | 24.66 | 5 | 2168 | 25 | 56289869 |
Atrioventricular block complete | 36.80 | 24.66 | 13 | 2160 | 7481 | 56282413 |
Duplicate therapy error | 32.70 | 24.66 | 5 | 2168 | 64 | 56289830 |
Contraindication to medical treatment | 32.33 | 24.66 | 7 | 2166 | 655 | 56289239 |
Tonsillar exudate | 30.22 | 24.66 | 4 | 2169 | 16 | 56289878 |
Product dispensing issue | 29.85 | 24.66 | 5 | 2168 | 117 | 56289777 |
Polyuria | 29.26 | 24.66 | 11 | 2162 | 7540 | 56282354 |
Premature baby | 27.92 | 24.66 | 14 | 2159 | 19191 | 56270703 |
Diabetic metabolic decompensation | 26.42 | 24.66 | 7 | 2166 | 1541 | 56288353 |
Hepatocellular injury | 26.34 | 24.66 | 15 | 2158 | 26499 | 56263395 |
Emphysema | 26.29 | 24.66 | 11 | 2162 | 9965 | 56279929 |
Creatinine urine increased | 26.21 | 24.66 | 5 | 2168 | 248 | 56289646 |
Abdominal pain upper | 25.77 | 24.66 | 33 | 2140 | 178280 | 56111614 |
Complicated appendicitis | 24.72 | 24.66 | 4 | 2169 | 75 | 56289819 |
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 |
---|---|---|---|---|---|---|
Body mass index abnormal | 57.13 | 37.69 | 9 | 1181 | 146 | 31696008 |
Ligament calcification | 53.99 | 37.69 | 9 | 1181 | 211 | 31695943 |
Rash maculovesicular | 53.09 | 37.69 | 7 | 1183 | 28 | 31696126 |
Lip erythema | 50.88 | 37.69 | 7 | 1183 | 41 | 31696113 |
Confabulation | 50.71 | 37.69 | 8 | 1182 | 131 | 31696023 |
Nasal mucosal disorder | 44.64 | 37.69 | 7 | 1183 | 110 | 31696044 |
Ankylosing spondylitis | 44.40 | 37.69 | 14 | 1176 | 5867 | 31690287 |
Drug abuse | 44.40 | 37.69 | 32 | 1158 | 87726 | 31608428 |
Palmoplantar pustulosis | 44.29 | 37.69 | 7 | 1183 | 116 | 31696038 |
Negativism | 42.53 | 37.69 | 8 | 1182 | 379 | 31695775 |
Genital ulceration | 41.71 | 37.69 | 7 | 1183 | 171 | 31695983 |
Spinal pain | 37.69 | 37.69 | 12 | 1178 | 5183 | 31690971 |
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 abuse | 126.97 | 21.94 | 82 | 3319 | 147174 | 70777869 |
Renal failure neonatal | 84.16 | 21.94 | 12 | 3389 | 71 | 70924972 |
Ductus arteriosus stenosis foetal | 84.16 | 21.94 | 12 | 3389 | 71 | 70924972 |
Neonatal respiratory acidosis | 70.75 | 21.94 | 10 | 3391 | 55 | 70924988 |
Bradycardia neonatal | 68.19 | 21.94 | 10 | 3391 | 74 | 70924969 |
Cyanosis neonatal | 63.15 | 21.94 | 9 | 3392 | 53 | 70924990 |
Intentional self-injury | 61.16 | 21.94 | 30 | 3371 | 31620 | 70893423 |
Neonatal respiratory distress syndrome | 57.21 | 21.94 | 10 | 3391 | 242 | 70924801 |
Ligament calcification | 51.72 | 21.94 | 9 | 3392 | 212 | 70924831 |
Gastritis erosive | 51.27 | 21.94 | 19 | 3382 | 10076 | 70914967 |
Body mass index abnormal | 50.98 | 21.94 | 9 | 3392 | 231 | 70924812 |
Rash maculovesicular | 50.79 | 21.94 | 7 | 3394 | 31 | 70925012 |
Premature baby | 39.63 | 21.94 | 12 | 3389 | 3427 | 70921616 |
Confabulation | 39.01 | 21.94 | 8 | 3393 | 462 | 70924581 |
Lip erythema | 38.76 | 21.94 | 7 | 3394 | 205 | 70924838 |
Sacroiliitis | 35.92 | 21.94 | 11 | 3390 | 3262 | 70921781 |
Nasal mucosal disorder | 35.08 | 21.94 | 7 | 3394 | 352 | 70924691 |
Maximal voluntary ventilation abnormal | 34.86 | 21.94 | 5 | 3396 | 31 | 70925012 |
Negativism | 34.71 | 21.94 | 8 | 3393 | 798 | 70924245 |
Foetal exposure during pregnancy | 33.79 | 21.94 | 12 | 3389 | 5633 | 70919410 |
Erosive duodenitis | 33.11 | 21.94 | 9 | 3392 | 1753 | 70923290 |
Palmoplantar pustulosis | 31.99 | 21.94 | 7 | 3394 | 552 | 70924491 |
Face oedema | 31.58 | 21.94 | 18 | 3383 | 25621 | 70899422 |
Genital ulceration | 30.43 | 21.94 | 7 | 3394 | 692 | 70924351 |
Enanthema | 29.55 | 21.94 | 7 | 3394 | 786 | 70924257 |
Spinal pain | 29.45 | 21.94 | 14 | 3387 | 13756 | 70911287 |
Mixed liver injury | 28.95 | 21.94 | 11 | 3390 | 6238 | 70918805 |
Product dispensing issue | 28.56 | 21.94 | 5 | 3396 | 122 | 70924921 |
Oral mucosa erosion | 28.49 | 21.94 | 8 | 3393 | 1757 | 70923286 |
Tonsillar exudate | 28.30 | 21.94 | 4 | 3397 | 22 | 70925021 |
Polyneuropathy in malignant disease | 27.41 | 21.94 | 5 | 3396 | 155 | 70924888 |
Low birth weight baby | 26.15 | 21.94 | 6 | 3395 | 587 | 70924456 |
Ankylosing spondylitis | 25.39 | 21.94 | 12 | 3389 | 11634 | 70913409 |
Atrioventricular block complete | 25.24 | 21.94 | 13 | 3388 | 15150 | 70909893 |
Drug interaction | 25.17 | 21.94 | 56 | 3345 | 381385 | 70543658 |
Duplicate therapy error | 25.01 | 21.94 | 5 | 3396 | 254 | 70924789 |
Angioedema | 23.70 | 21.94 | 22 | 3379 | 66588 | 70858455 |
Stevens-Johnson syndrome | 23.68 | 21.94 | 17 | 3384 | 35890 | 70889153 |
Disorientation | 22.31 | 21.94 | 20 | 3381 | 57903 | 70867140 |
Contraindication to medical treatment | 22.02 | 21.94 | 6 | 3395 | 1179 | 70923864 |
Neonatal respiratory distress | 22.01 | 21.94 | 3 | 3398 | 12 | 70925031 |
None
Source | Code | Description |
---|---|---|
ATC | M01AX17 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Other antiinflammatory and antirheumatic agents, non-steroids |
ATC | M02AA26 | MUSCULO-SKELETAL SYSTEM TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN Antiinflammatory preparations, non-steroids for topical use |
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 | 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 | 6.03 | 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 | IC50 | 5.91 | WOMBAT-PK | |||||
Prostaglandin G/H synthase 1 | Enzyme | IC50 | 5.42 | CHEMBL | |||||
Sodium-dependent dopamine transporter | Transporter | Ki | 4.93 | DRUG MATRIX | |||||
Aromatase | Enzyme | IC50 | 4.57 | WOMBAT-PK | |||||
cAMP-specific 3',5'-cyclic phosphodiesterase 4A | Enzyme | IC50 | 5.70 | WOMBAT-PK | |||||
Myeloperoxidase | Enzyme | IC50 | 5.68 | CHEMBL | |||||
Interstitial collagenase | Enzyme | IC50 | 4.63 | DRUG MATRIX | |||||
Prostaglandin G/H synthase 1 | Enzyme | IC50 | 5.21 | CHEMBL | |||||
Prostaglandin G/H synthase 2 | Enzyme | IC50 | 6.40 | CHEMBL | |||||
Sodium-dependent neutral amino acid transporter B(0)AT1 | Transporter | INHIBITOR | IC50 | 4.64 | IUPHAR | ||||
Dipeptidyl peptidase 3 | Enzyme | Ki | 4.16 | CHEMBL |
ID | Source |
---|---|
D01049 | KEGG_DRUG |
C0132515 | UMLSCUI |
CHEBI:44445 | CHEBI |
NIM | PDB_CHEM_ID |
CHEMBL56367 | ChEMBL_ID |
DB04743 | DRUGBANK_ID |
C012655 | MESH_SUPPLEMENTAL_RECORD_UI |
4495 | PUBCHEM_CID |
7401 | IUPHAR_LIGAND_ID |
4885 | INN_ID |
V4TKW1454M | UNII |
53694 | RXNORM |
004182 | NDDF |
703479000 | SNOMEDCT_US |
703480002 | SNOMEDCT_US |
None