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 |
---|---|---|---|---|---|---|
Ductus arteriosus stenosis foetal | 85.78 | 26.75 | 13 | 1923 | 158 | 50603030 |
Renal failure neonatal | 84.76 | 26.75 | 13 | 1923 | 172 | 50603016 |
Drug abuse | 79.97 | 26.75 | 41 | 1895 | 59805 | 50543383 |
Neonatal respiratory acidosis | 71.40 | 26.75 | 11 | 1925 | 150 | 50603038 |
Cyanosis neonatal | 58.64 | 26.75 | 10 | 1926 | 264 | 50602924 |
Bradycardia neonatal | 53.18 | 26.75 | 11 | 1925 | 835 | 50602353 |
Neonatal respiratory distress syndrome | 50.23 | 26.75 | 13 | 1923 | 2641 | 50600547 |
Gastritis erosive | 41.74 | 26.75 | 13 | 1923 | 5121 | 50598067 |
Atrioventricular block complete | 37.33 | 26.75 | 13 | 1923 | 7242 | 50595946 |
Contraindication to medical treatment | 32.85 | 26.75 | 7 | 1929 | 613 | 50602575 |
Duplicate therapy error | 32.74 | 26.75 | 5 | 1931 | 64 | 50603124 |
Product dispensing issue | 31.30 | 26.75 | 5 | 1931 | 87 | 50603101 |
Tonsillar exudate | 30.25 | 26.75 | 4 | 1932 | 16 | 50603172 |
Polyuria | 29.98 | 26.75 | 11 | 1925 | 7110 | 50596078 |
Premature baby | 28.66 | 26.75 | 14 | 1922 | 18323 | 50584865 |
Abdominal pain upper | 27.34 | 26.75 | 32 | 1904 | 159277 | 50443911 |
Diabetic metabolic decompensation | 26.79 | 26.75 | 7 | 1929 | 1473 | 50601715 |
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 | 58.45 | 39.49 | 9 | 1069 | 129 | 29573320 |
Ligament calcification | 54.25 | 39.49 | 9 | 1069 | 211 | 29573238 |
Confabulation | 50.95 | 39.49 | 8 | 1070 | 131 | 29573318 |
Rash maculovesicular | 45.88 | 39.49 | 6 | 1072 | 23 | 29573426 |
Palmoplantar pustulosis | 45.28 | 39.49 | 7 | 1071 | 103 | 29573346 |
Ankylosing spondylitis | 45.05 | 39.49 | 13 | 1065 | 4163 | 29569286 |
Lip erythema | 43.66 | 39.49 | 6 | 1072 | 36 | 29573413 |
Negativism | 43.02 | 39.49 | 8 | 1070 | 367 | 29573082 |
Sacroiliitis | 39.58 | 39.49 | 9 | 1069 | 1118 | 29572331 |
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 | 93.27 | 23.10 | 65 | 3020 | 132309 | 64363338 |
Renal failure neonatal | 84.94 | 23.10 | 12 | 3073 | 66 | 64495581 |
Ductus arteriosus stenosis foetal | 84.79 | 23.10 | 12 | 3073 | 67 | 64495580 |
Neonatal respiratory acidosis | 71.42 | 23.10 | 10 | 3075 | 51 | 64495596 |
Bradycardia neonatal | 68.70 | 23.10 | 10 | 3075 | 70 | 64495577 |
Cyanosis neonatal | 63.78 | 23.10 | 9 | 3076 | 49 | 64495598 |
Neonatal respiratory distress syndrome | 57.85 | 23.10 | 10 | 3075 | 227 | 64495420 |
Gastritis erosive | 52.26 | 23.10 | 19 | 3066 | 9576 | 64486071 |
Body mass index abnormal | 51.83 | 23.10 | 9 | 3076 | 210 | 64495437 |
Ligament calcification | 51.75 | 23.10 | 9 | 3076 | 212 | 64495435 |
Rash maculovesicular | 43.65 | 23.10 | 6 | 3079 | 26 | 64495621 |
Premature baby | 40.25 | 23.10 | 12 | 3073 | 3260 | 64492387 |
Confabulation | 39.22 | 23.10 | 8 | 3077 | 451 | 64495196 |
Sacroiliitis | 36.85 | 23.10 | 11 | 3074 | 3001 | 64492646 |
Negativism | 35.20 | 23.10 | 8 | 3077 | 752 | 64494895 |
Lip erythema | 33.82 | 23.10 | 6 | 3079 | 159 | 64495488 |
Erosive duodenitis | 33.57 | 23.10 | 9 | 3076 | 1669 | 64493978 |
Palmoplantar pustulosis | 32.83 | 23.10 | 7 | 3078 | 490 | 64495157 |
Foetal exposure during pregnancy | 32.57 | 23.10 | 11 | 3074 | 4465 | 64491182 |
Face oedema | 32.21 | 23.10 | 18 | 3067 | 24743 | 64470904 |
Spinal pain | 30.65 | 23.10 | 14 | 3071 | 12607 | 64483040 |
Product dispensing issue | 29.92 | 23.10 | 5 | 3080 | 92 | 64495555 |
Nasal mucosal disorder | 29.49 | 23.10 | 6 | 3079 | 334 | 64495313 |
Tonsillar exudate | 28.31 | 23.10 | 4 | 3081 | 22 | 64495625 |
Polyneuropathy in malignant disease | 27.42 | 23.10 | 5 | 3080 | 155 | 64495492 |
Mixed liver injury | 26.69 | 23.10 | 10 | 3075 | 5471 | 64490176 |
Low birth weight baby | 26.52 | 23.10 | 6 | 3079 | 552 | 64495095 |
Duplicate therapy error | 26.11 | 23.10 | 5 | 3080 | 203 | 64495444 |
Atrioventricular block complete | 25.89 | 23.10 | 13 | 3072 | 14405 | 64481242 |
Genital ulceration | 25.68 | 23.10 | 6 | 3079 | 637 | 64495010 |
Angioedema | 25.17 | 23.10 | 22 | 3063 | 61799 | 64433848 |
Enanthema | 24.83 | 23.10 | 6 | 3079 | 735 | 64494912 |
Intentional self-injury | 24.53 | 23.10 | 16 | 3069 | 29028 | 64466619 |
Oral mucosa erosion | 24.25 | 23.10 | 7 | 3078 | 1700 | 64493947 |
Liver injury | 24.09 | 23.10 | 16 | 3069 | 29916 | 64465731 |
Contraindication to medical treatment | 23.18 | 23.10 | 6 | 3079 | 972 | 64494675 |
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