Compound Detail
CHEMBL282121
MEBEVERINE 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL282121 |
| Name | MEBEVERINE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | VYVKHNNGDFVQGA-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
3
Known Names
2
Indications
Molecular Properties
429.6
MW (Da)
4.60
ALogP
6
HBA
0
HBD
57.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Indications
Digestive System Diseases Irritable Bowel Syndrome
ATC Classification
A03AA04
mebeverine
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Activity Summary
IC50 5 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.76 | 5.76 | 1740.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.41 | 5.41 | 3890.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.27 | 4.27 | 54240.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.26 | 4.26 | 54940.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.15 | 4.15 | 70770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1740.0 | nM | 5.76 | DNDI: Malaria in Vitro, 72 hour | - |
| Trypanosoma cruzi | IC50 | = | 3890.0 | nM | 5.41 | DNDI: Chagas in Vitro, 96 hour | - |
| Trypanosoma brucei rhodesiense | IC50 | = | 54240.0 | nM | 4.27 | DNDI: HAT in Vitro, 72 hour | - |
| Leishmania donovani | IC50 | = | 54940.0 | nM | 4.26 | DNDI: Leish (macro) in Vitro, 96 hour | - |
| NON-PROTEIN TARGET | IC50 | = | 70770.0 | nM | 4.15 | DNDI: Cytotoxicity in Vitro, 72 hour, in rat skeletal myoblast cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 | Muscarinic acetylcholine receptor M2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Cannabinoid receptor 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Beta-2 adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Beta-1 adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 2 |
| 7143374 | 10.1021/jm00353a016 | Canis familiaris | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Androgen receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| - | 10.6019/CHEMBL3392926 | Leishmania donovani | 2 |
| - | 10.6019/CHEMBL3392926 | NON-PROTEIN TARGET | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 2 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
| - | 10.6019/CHEMBL3392926 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine