Compound Detail
CHEMBL188921
BUFLOMEDIL 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL188921 |
| Name | BUFLOMEDIL |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | OWYLAEYXIQKAOL-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
8
PK Parameters
20
Publications
1
Known Names
1
Indications
Molecular Properties
307.4
MW (Da)
2.77
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Withdrawn |
| Chirality | Achiral |
Indications
Cardiovascular Diseases
ATC Classification
C04AX20
buflomedil
Level 1: CARDIOVASCULAR SYSTEM
Level 2: PERIPHERAL VASODILATORS
Drug Warnings
Withdrawn
neurotoxicity
Serious nervous (convulsions, myoclonia and status epilepticus) and cardiac (tachycardia, hypotension, ventricular rhythm disorders and cardiac arrest) events especially in accidental overdose or volu...
Withdrawn
vascular toxicity
Serious nervous (convulsions, myoclonia and status epilepticus) and cardiac (tachycardia, hypotension, ventricular rhythm disorders and cardiac arrest) events especially in accidental overdose or volu...
Withdrawn
neurotoxicity
Serious nervous (convulsions, myoclonia and status epilepticus) and cardiac (tachycardia, hypotension, ventricular rhythm disorders and cardiac arrest) events especially in accidental overdose or volu...
Withdrawn
cardiotoxicity
Serious nervous (convulsions, myoclonia and status epilepticus) and cardiac (tachycardia, hypotension, ventricular rhythm disorders and cardiac arrest) events especially in accidental overdose or volu...
Withdrawn
cardiotoxicity
risk of serious neurological and cardiac side effects in patients when buflomedil is used normally
Withdrawn
cardiotoxicity
risk of serious neurological and cardiac side effects in patients when buflomedil is used normally
Withdrawn
cardiotoxicity
Low efficacy and with regards to a risk of serious side- effects linked to neurological and cardiac misuse (non- compliance with the indication, contraindications, dosage, and monitoring of renal func...
Withdrawn
neurotoxicity
Low efficacy and with regards to a risk of serious side- effects linked to neurological and cardiac misuse (non- compliance with the indication, contraindications, dosage, and monitoring of renal func...
Withdrawn
drug misuse
Low efficacy and with regards to a risk of serious side- effects linked to neurological and cardiac misuse (non- compliance with the indication, contraindications, dosage, and monitoring of renal func...
Withdrawn
cardiotoxicity
Serious nervous (convulsions, myoclonia and status epilepticus) and cardiac (tachycardia, hypotension, ventricular rhythm disorders and cardiac arrest) events especially in accidental overdose or volu...
Activity Summary
Ki 4 meas. best 7.22
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase CHEMBL4931 | Ki | 7.22 | 7.22 | 60.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.04 | 5.965 | 912.2 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 5.66 | 5.66 | 2170.5 | 1 |
| C-8 sterol isomerase ERG2 CHEMBL3224 | Ki | 5.15 | 5.15 | 7150.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.6 | mL.min-1.kg-1 | Homo sapiens |
| CL | 4.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 5.6 | mL.min-1.kg-1 | Homo sapiens |
| CL | 5.6 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.4 | - | Homo sapiens |
| Fu | 0.4 | - | Homo sapiens |
| MRT | 3.9 | hr | Homo sapiens |
| T1/2 | 3.3 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Ki | = | 60.0 | nM | 7.22 | Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerev... | 16033255 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 912.2 | nM | 6.04 | DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) | - |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1290.0 | nM | 5.89 | Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H... | 16033255 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 2170.5 | nM | 5.66 | DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) | - |
| C-8 sterol isomerase ERG2 | Ki | = | 7150.0 | nM | 5.15 | Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pe... | 16033255 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 467 |
| 20070106 | 10.1021/jm901371v | Homo sapiens | 8 |
| 18426954 | 10.1124/dmd.108.020479 | ADMET | 4 |
| 34547896 | 10.1021/acs.jmedchem.1c00823 | Transthyretin | 4 |
| 37468498 | 10.1038/s41467-023-40064-9 | Nuclear receptor subfamily 1 group I member 2 | 3 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Progesterone receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Cannabinoid receptor 1 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 19445515 | 10.1021/jm900403j | Homo sapiens | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Androgen receptor | 2 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
| 20070106 | 10.1021/jm901371v | Plasma | 1 |
Data from ChEMBL 36 via Core Engine