| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory, indometacin derivatives | 47 | 53164-05-9 |
| Dose | Unit | Route |
|---|---|---|
| 0.12 | g | O |
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 0.06 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Bocci G, Oprea TI, Benet LZ |
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 |
|---|---|---|---|---|---|---|
| Axial spondyloarthritis | 55.06 | 53.36 | 8 | 495 | 376 | 63488143 |
| 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 |
|---|---|---|---|---|---|---|
| Ankylosing spondylitis | 63.32 | 53.32 | 12 | 135 | 5592 | 34951192 |
| Uveitis | 53.80 | 53.32 | 11 | 136 | 7524 | 34949260 |
| 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 |
|---|---|---|---|---|---|---|
| Axial spondyloarthritis | 75.49 | 42.02 | 11 | 571 | 575 | 79743231 |
| Residual urine volume increased | 42.85 | 42.02 | 5 | 577 | 43 | 79743763 |
None
| Source | Code | Description |
|---|---|---|
| ATC | M01AB11 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Acetic acid derivatives and related substances |
| 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 | 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:35544 | cyclooxygenase inhibitors |
| CHEBI has role | CHEBI:50266 | Prodrugs |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Ankylosing spondylitis | indication | 9631008 | DOID:7147 |
| Rheumatism | indication | 396332003 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.15 | 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 | KEGG DRUG | KEGG DRUG | |||||
| Prostaglandin G/H synthase 1 | Enzyme | INHIBITOR | KEGG DRUG | KEGG DRUG | |||||
| Lactoylglutathione lyase | Enzyme | Ki | 4.89 | CHEMBL |
| ID | Source |
|---|---|
| D01582 | KEGG_DRUG |
| 16695 | RXNORM |
| C0050409 | UMLSCUI |
| CHEBI:31162 | CHEBI |
| CHEMBL189171 | ChEMBL_ID |
| DB13783 | DRUGBANK_ID |
| C026784 | MESH_SUPPLEMENTAL_RECORD_UI |
| 1981 | PUBCHEM_CID |
| C519896 | MESH_SUPPLEMENTAL_RECORD_UI |
| 3664 | INN_ID |
| 5V141XK28X | UNII |
| 329906008 | SNOMEDCT_US |
| 391704009 | SNOMEDCT_US |
| 003916 | NDDF |
None