Compound Detail
CHEMBL70352
BENACTYZINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL70352 |
| Name | BENACTYZINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | IVQOFBKHQCTVQV-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
2
Known Names
Molecular Properties
327.4
MW (Da)
2.81
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Kd 2 meas. best 8.2
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Kd | 8.2 | 8.2 | 6.3 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Rattus norvegicus CHEMBL376 | Kd | 7.46 | 7.46 | 34.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Kd | = | 6.31 | nM | 8.2 | Antimuscarinic activity was assayed for its ability to block the acetyl-choline ... | 3494849 |
| Rattus norvegicus | IC50 | = | 30.0 | nM | 7.52 | Inhibition of carbachol-induced release of alpha-amylase from pancreatic acini f... | 3494849 |
| Rattus norvegicus | Kd | = | 34.67 | nM | 7.46 | Antimuscarinic potency is measured as its ability to block ACh-induced contracti... | 3806613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3494849 | 10.1021/jm00388a010 | Cavia porcellus | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 3806613 | 10.1021/jm00385a009 | Rattus norvegicus | 1 |
| 15081012 | 10.1016/j.bmcl.2004.02.018 | Sigma non-opioid intracellular receptor 1 | 1 |
| 15081012 | 10.1016/j.bmcl.2004.02.018 | Sigma 2 receptor | 1 |
| 12873507 | 10.1016/s0960-894x(03)00535-3 | Unchecked | 1 |
| 3494849 | 10.1021/jm00388a010 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine