| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory agents, ibufenac derivatives | 2871 | 33369-31-2 |
| Dose | Unit | Route |
|---|---|---|
| 0.30 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Hosey CM, Chan R, Benet LZ |
| S (Water solubility) | 0.05 mg/mL | Bocci G, Oprea TI, Benet LZ |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | M01AB04 | 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:35554 | cardiovascular agent |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.62 | 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 | Ki | 7.02 | PDSP | |||||
| Prostaglandin G/H synthase 1 | Enzyme | Ki | 6.37 | PDSP | |||||
| Cyclooxygenase | Enzyme | IC50 | 4.82 | CHEMBL |
| ID | Source |
|---|---|
| D06382 | KEGG_DRUG |
| C0078840 | UMLSCUI |
| CHEBI:35859 | CHEBI |
| ZOM | PDB_CHEM_ID |
| CHEMBL19490 | ChEMBL_ID |
| DB04828 | DRUGBANK_ID |
| C020549 | MESH_SUPPLEMENTAL_RECORD_UI |
| 5733 | PUBCHEM_CID |
| 4054 | INN_ID |
| 64092-49-5 | SECONDARY_CAS_RN |
| 822G987U9J | UNII |
| 39994 | RXNORM |
| 001603 | NDDF |
| 004657 | NDDF |
| 412341001 | SNOMEDCT_US |
| 96176000 | SNOMEDCT_US |
| CHEMBL3989403 | ChEMBL_ID |
| CHEMBL266459 | ChEMBL_ID |
None