Compound Detail
CHEMBL94394
BUFEXAMAC 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL94394 |
| Name | BUFEXAMAC |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | MXJWRABVEGLYDG-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
6
Targets
9
Activities
2
Assay Types
0
PK Parameters
20
Publications
7
Known Names
3
Indications
1
Mechanisms
Molecular Properties
223.3
MW (Da)
1.91
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Withdrawn |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Unknown | - | - | ✓ | ✓ |
Indications
Arthralgia Myalgia Rheumatic Diseases
ATC Classification
M01AB17
bufexamac
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M02AA09
bufexamac
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Drug Warnings
Withdrawn
dermatological toxicity
risks of serious skin reactions from bufexamac outweigh any possible benefits when used for the treatment of insect bites, stings and itches, and minor burns and sunburn
Withdrawn
immune system toxicity
Contact allergies
Withdrawn
immune system toxicity
High risk of sometimes serious contact allergy
Activity Summary
IC50 5 meas. best 6.89
Kd 4 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.89 | 5.73 | 128.8 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.56 | 5.56 | 2771.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | Kd | 4.97 | 4.97 | 10700.0 | 1 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | Kd | 4.91 | 4.91 | 12300.0 | 1 |
| Arachidonate 5-lipoxygenase CHEMBL2980 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.09 | 4.09 | 81200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 128.82 | nM | 6.89 | Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat baso... | 2308149 |
| Plasmodium falciparum | IC50 | = | 2771.0 | nM | 5.56 | Antiplasmodial activity against Plasmodium falciparum 3D7 infected in RBCs by fi... | 20547797 |
| Histone deacetylase 6 | Kd | = | 10700.0 | nM | 4.97 | Inhibition of HDAC6 (unknown origin) | 23627282 |
| Polyamine deacetylase HDAC10 | Kd | = | 12300.0 | nM | 4.91 | Inhibition of HDAC10 (unknown origin) | 23627282 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 27000.0 | nM | 4.57 | In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia c... | 2308149 |
| Arachidonate 5-lipoxygenase | IC50 | = | 35000.0 | nM | 4.46 | 5-LO inhibitory activity, measured by production of 5-hydroxyeicosatetraenoic ac... | 9276024 |
| Aminopeptidase N | IC50 | = | 81200.0 | nM | 4.09 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2308149 | 10.1021/jm00165a017 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| 9276024 | 10.1021/jm9701785 | HaCaT | 2 |
| 23627282 | 10.1021/jm4001659 | Histone deacetylase 3 | 1 |
| 23627282 | 10.1021/jm4001659 | Histone deacetylase 2 | 1 |
| 23627282 | 10.1021/jm4001659 | Polyamine deacetylase HDAC10 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 23627282 | 10.1021/jm4001659 | Histone deacetylase 8 | 1 |
| 20547797 | 10.1128/aac.00431-10 | Plasmodium falciparum | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine