Compound Detail
CHEMBL956
SUPROFEN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL956 |
| Name | SUPROFEN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | MDKGKXOCJGEUJW-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
3
Targets
4
Activities
2
Assay Types
11
PK Parameters
20
Publications
15
Known Names
1
Indications
1
Mechanisms
Molecular Properties
260.3
MW (Da)
3.17
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1985 |
| Availability | Withdrawn |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cyclooxygenase inhibitor | INHIBITOR | Cyclooxygenase | ✓ | ✓ |
Indications
Rheumatic Diseases
ATC Classification
M01AE07
suprofen
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
Drug Warnings
Withdrawn
nephrotoxicity
Flank pain, decreased kidney function
Withdrawn
musculoskeletal toxicity
Flank pain, decreased kidney function
Withdrawn
nephrotoxicity
Flank pain, decreased kidney function
Withdrawn
musculoskeletal toxicity
Flank pain, decreased kidney function
Activity Summary
IC50 2 meas. best 6.25
Ki 2 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.56 | 5.56 | 2750.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | Ki | 5.43 | 4.89 | 3700.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.76 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.7 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.76 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.76 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 9.77 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| CL | 16.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| Fu | 0.006 | - | Homo sapiens |
| Fu | 0.006 | - | Homo sapiens |
| MRT | 0.88 | hr | Homo sapiens |
| T1/2 | 2.1 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 560.0 | nM | 6.25 | Inhibition of COX1 in human whole blood | 18667313 |
| Prostaglandin G/H synthase 2 | IC50 | = | 2750.0 | nM | 5.56 | Inhibition of COX2 in human whole blood | 18667313 |
| Cytochrome P450 2C9 | Ki | = | 3700.0 | nM | 5.43 | Mechanism based inhibition of human cytochrome P450 2C9 | 16248836 |
| Cytochrome P450 2C9 | Ki | = | 45000.0 | nM | 4.35 | Binding affinity measured on human cytochrome P450 2C9 (CYP2C9) enzyme | 10956186 |
Literature References
Data from ChEMBL 36 via Core Engine