Compound Detail
CHEMBL1076211
TOLPERISONE 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL1076211 |
| Name | TOLPERISONE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | FSKFPVLPFLJRQB-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
4
Known Names
4
Indications
Molecular Properties
245.4
MW (Da)
3.30
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Indications
Arthralgia Low Back Pain Myalgia Muscle Spasticity
ATC Classification
M02AX06
tolperisone
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
M03BX04
tolperisone
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: MUSCLE RELAXANTS
Activity Summary
IC50 3 meas. best 7.89
Ki 3 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.25 | 8.25 | 5.6 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | Ki | 6.34 | 6.34 | 456.0 | 1 |
| Alpha-2B adrenergic receptor CHEMBL1942 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.68 | 5.68 | 2066.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.47 | 5.47 | 3357.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 5.587 | nM | 8.25 | DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) | - |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 13.0 | nM | 7.89 | DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) | - |
| Alpha-2B adrenergic receptor | Ki | = | 456.0 | nM | 6.34 | DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscin... | - |
| Alpha-2B adrenergic receptor | IC50 | = | 1000.0 | nM | 6.0 | DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscin... | - |
| Unchecked | Ki | = | 2066.0 | nM | 5.68 | DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil) | - |
| Unchecked | IC50 | = | 3357.0 | nM | 5.47 | DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 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 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Estrogen receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Acetylcholinesterase | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent noradrenaline transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent serotonin transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Vascular endothelial growth factor receptor 2 | 1 |
| 20020916 | 10.1080/15376510701857262 | Phospholipidosis | 1 |
Data from ChEMBL 36 via Core Engine