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valdecoxib 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| selective cyclo-oxygenase inhibitors | 2799 | 181695-72-7 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
a COX-2 inhibitor
Legend: OFP - off patent OFM - off market ONP - on patent |
Drug dosage:
| Dose | Unit | Route |
|---|---|---|
| 10 | mg | O |
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 2.12 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 83 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.75 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 1.40 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.02 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 7.40 hours | Lombardo F, Berellini G, Obach RS |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 2.621 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.498 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 81.658 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 4.560 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 4.640 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 12.580 | % | High | 1 |
| herg | hERG pIC50 | 4.697 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 2.576 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.707 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 2.750 | % | High | 1 |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 3.296 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 8.241 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 4.670 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 7.534 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 11.090 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 6.180 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 43.640 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 4.500 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 35.727 | uM | High | 1 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Nov. 16, 2001 | FDA |
FDA Adverse Event Reporting System (Female)
| 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 hypersensitivity | 170.78 | 66.73 | 60 | 226 | 463549 | 90164612 |
FDA Adverse Event Reporting System (Male)
None
FDA Adverse Event Reporting System (Geriatric)
| 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 hypersensitivity | 189.26 | 55.96 | 51 | 88 | 454039 | 110135121 |
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| ATC | M01AH03 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Coxibs |
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D016861 | Cyclooxygenase Inhibitors |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D018501 | Antirheumatic Agents |
| MeSH PA | D018689 | Sensory System Agents |
| MeSH PA | D018712 | Analgesics, Non-Narcotic |
| MeSH PA | D052246 | Cyclooxygenase 2 Inhibitors |
| CHEBI has role | CHEBI:35475 | non-steroidal anti-inflammatory drug |
| CHEBI has role | CHEBI:35480 | analgesic |
| CHEBI has role | CHEBI:35481 | non-narcotic analgesic |
| CHEBI has role | CHEBI:35493 | antipyretic |
| CHEBI has role | CHEBI:35842 | antirheumatic drug |
| CHEBI has role | CHEBI:50629 | cyclooxygenase 2 inhibitor |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agent |
Related Drugs by ATC class:
M01AH Coxibs 6 drugs
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Acute postoperative pain | indication | 107401000119105 | |
| Rheumatoid arthritis | off-label use | 69896004 | DOID:7148 |
| Dysmenorrhea | off-label use | 266599000 | |
| Osteoarthritis | off-label use | 396275006 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.85 | acidic |
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | Enzyme | INHIBITOR | IC50 | 8.30 | WOMBAT-PK | CHEMBL | |||
| Prostaglandin G/H synthase 1 | Enzyme | IC50 | 4.57 | CHEMBL | |||||
| Sodium-dependent noradrenaline transporter | Transporter | Ki | 5.54 | DRUG MATRIX | |||||
| 5-hydroxytryptamine receptor 2B | GPCR | Ki | 5.74 | PDSP | |||||
| Carbonic anhydrase 2 | Enzyme | IC50 | 7.37 | WOMBAT-PK | |||||
| Carbonic anhydrase 1 | Enzyme | Ki | 4.27 | CHEMBL | |||||
| Carbonic anhydrase 4 | Enzyme | Ki | 5.87 | CHEMBL | |||||
| Carbonic anhydrase 9 | Enzyme | IC50 | 7.57 | WOMBAT-PK | |||||
| Carbonic anhydrase 12 | Enzyme | Ki | 7.89 | CHEMBL | |||||
| Carbonic anhydrase 5A, mitochondrial | Enzyme | Ki | 6.04 | CHEMBL | |||||
| Carbonic anhydrase 5B, mitochondrial | Enzyme | Ki | 7.06 | CHEMBL | |||||
| Carbonic anhydrase 7 | Enzyme | Ki | 5.41 | CHEMBL | |||||
| Carbonic anhydrase 3 | Enzyme | Ki | 4.11 | CHEMBL | |||||
| Carbonic anhydrase 6 | Enzyme | Ki | 6.24 | CHEMBL | |||||
| Carbonic anhydrase 14 | Enzyme | Ki | 6.97 | CHEMBL | |||||
| Cytochrome c oxidase subunit 2 | Enzyme | IC50 | 5.96 | CHEMBL | |||||
| Carbonic anhydrase 13 | Enzyme | Ki | 6.37 | CHEMBL | |||||
| Carbonic anhydrase 13 | Enzyme | Ki | 6.37 | CHEMBL | |||||
| Carbonic anhydrase 4 | Enzyme | Ki | 6.47 | CHEMBL | |||||
| Carbonic anhydrase | Enzyme | Ki | 6.89 | CHEMBL | |||||
| Carbonic anhydrase | Enzyme | Ki | 4.21 | CHEMBL | |||||
| Carbonic anhydrase 15 | Enzyme | Ki | 7.18 | CHEMBL | |||||
| Carbonic anhydrase | Enzyme | Ki | 6.18 | CHEMBL | |||||
| Carbonic anhydrase | Enzyme | Ki | 7.37 | CHEMBL | |||||
| Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase | Enzyme | Ki | 5.11 | CHEMBL | |||||
| Carbonic anhydrase | Enzyme | Ki | 7.01 | CHEMBL | |||||
| Alpha carbonic anhydrase | Enzyme | Ki | 7.54 | CHEMBL | |||||
| Carbonic anhydrase | Enzyme | Ki | 5.24 | CHEMBL | |||||
| Carbonic anhydrase 2 | Enzyme | Ki | 6.15 | CHEMBL | |||||
| Astrosclerin-3 | Enzyme | Ki | 6.29 | CHEMBL | |||||
| Beta-carbonic anhydrase 1 | Enzyme | Ki | 4.89 | CHEMBL | |||||
| Delta carbonic anhydrase | Enzyme | Ki | 6.42 | CHEMBL | |||||
| Carbonic anhydrase 2 | Enzyme | Ki | 6.17 | CHEMBL | |||||
| Cytochrome c oxidase subunit 1 | Enzyme | IC50 | 4.02 | CHEMBL | |||||
| Carbonic anhydrase | Enzyme | Ki | 6.79 | CHEMBL | |||||
| Carbonic anhydrase, alpha family | Enzyme | Ki | 6.28 | CHEMBL | |||||
| Carbonate dehydratase | Enzyme | Ki | 8.28 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| 4021284 | VUID |
| N0000148721 | NUI |
| D02709 | KEGG_DRUG |
| 4021284 | VANDF |
| C0913246 | UMLSCUI |
| CHEBI:63634 | CHEBI |
| COX | PDB_CHEM_ID |
| CHEMBL865 | ChEMBL_ID |
| DB00580 | DRUGBANK_ID |
| C406224 | MESH_SUPPLEMENTAL_RECORD_UI |
| 119607 | PUBCHEM_CID |
| 2894 | IUPHAR_LIGAND_ID |
| 7815 | INN_ID |
| 2919279Q3W | UNII |
| 278567 | RXNORM |
| 16210 | MMSL |
| d04778 | MMSL |
| 009503 | NDDF |
| 385583007 | SNOMEDCT_US |
| 385584001 | SNOMEDCT_US |
| 2919279Q3W | INXIGHT DRUGS |
Pharmaceutical products:
None