Compound Detail
CHEMBL1070
NABUMETONE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1070 |
| Name | NABUMETONE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | BLXXJMDCKKHMKV-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
| Active Moiety | CHEMBL1105 |
3
Targets
5
Activities
2
Assay Types
1
PK Parameters
20
Publications
7
Known Names
3
Indications
1
Mechanisms
Molecular Properties
228.3
MW (Da)
3.37
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1991 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cyclooxygenase-2 inhibitor | INHIBITOR | Prostaglandin G/H synthase 2 | ✓ | ✓ |
Indications
Arthritis, Rheumatoid Osteoarthritis Rheumatic Diseases
ATC Classification
M01AX01
nabumetone
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
Drug Warnings
Black Box Warning
gastrointestinal toxicity
Black Box Warning
neurotoxicity
Black Box Warning
cardiotoxicity
Activity Summary
IC50 4 meas. best 6.0
Ki 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 6.0 | 6.0 | 998.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.73 | 5.73 | 1868.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.73 | 5.73 | 1853.0 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 20.0 | % | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | IC50 | = | 998.0 | nM | 6.0 | DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine) | - |
| Sodium-dependent noradrenaline transporter | IC50 | = | 1868.0 | nM | 5.73 | DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-5... | - |
| Sodium-dependent noradrenaline transporter | Ki | = | 1853.0 | nM | 5.73 | DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-5... | - |
| Cytochrome P450 1A2 | IC50 | = | 5000.0 | nM | 5.3 | DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | - |
Literature References
Data from ChEMBL 36 via Core Engine