Compound Detail
CHEMBL4473371
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Basic Information
| ChEMBL ID | CHEMBL4473371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAKDXGPEQIMGCY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
4.17
ALogP
11
HBA
2
HBD
92.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholine receptor subunit epsilon CHEMBL2484 | Ki | 8.51 | 8.51 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholine receptor subunit epsilon | Ki | = | 3.07 | nM | 8.51 | Inhibition of AChE (unknown origin) by spectrophotometric analysis | 31352246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31352246 | 10.1016/j.ejmech.2019.07.059 | Acetylcholine receptor subunit epsilon | 1 |
Data from ChEMBL 36 via Core Engine