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