Compound Detail
CHEMBL2107687
VALETHAMATE BROMIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2107687 |
| Name | VALETHAMATE BROMIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEJGGHKJHDHLAZ-UHFFFAOYSA-M |
| Parent Compound | CHEMBL2111176 |
| Active Moiety | CHEMBL2111176 |
8
Targets
15
Activities
2
Assay Types
0
PK Parameters
1
Publications
3
Known Names
Molecular Properties
306.5
MW (Da)
3.85
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
IC50 8 meas. best 7.92
Ki 7 meas. best 8.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 8.56 | 8.56 | 2.8 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 8.44 | 8.44 | 3.7 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 8.25 | 8.25 | 5.6 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.7 | 6.7 | 200.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 6.61 | 6.61 | 248.5 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 6.32 | 6.32 | 475.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.52 | 5.52 | 3013.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.47 | 5.47 | 3389.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine