Stem definition | Drug id | CAS RN |
---|---|---|
selective cyclo-oxygenase inhibitors | 1618 | 220991-20-8 |
Dose | Unit | Route |
---|---|---|
0.10 | g | O |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Hosey CM, Chan R, Benet LZ |
BA (Bioavailability) | 74 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
S (Water solubility) | 0.01 mg/mL | Bocci G, Oprea TI, Benet LZ |
Date | Agency | Company | Orphan |
---|---|---|---|
Sept. 12, 2003 | UK Medicines and Healthcare Products Regulatory Agency (MHRA) | Novartis Pharmaceuticals UK Limited |
None
None
None
None
Source | Code | Description |
---|---|---|
ATC | M01AH06 | 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 |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Osteoarthritis | indication | 396275006 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 4.24 | acidic |
pKa2 | 0.42 | 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 | Ki | 6.49 | CHEMBL | SCIENTIFIC LITERATURE | |||
Prostaglandin G/H synthase 1 | Enzyme | IC50 | 8.15 | CHEMBL | |||||
Prostaglandin G/H synthase 2 | Enzyme | IC50 | 7.40 | CHEMBL |
ID | Source |
---|---|
D03714 | KEGG_DRUG |
C1176415 | UMLSCUI |
CHEBI:73044 | CHEBI |
LUR | PDB_CHEM_ID |
CHEMBL404108 | ChEMBL_ID |
DB01283 | DRUGBANK_ID |
C473384 | MESH_SUPPLEMENTAL_RECORD_UI |
151166 | PUBCHEM_CID |
2897 | IUPHAR_LIGAND_ID |
8151 | INN_ID |
V91T9204HU | UNII |
011158 | NDDF |
422506000 | SNOMEDCT_US |
424967004 | SNOMEDCT_US |
None