Compound Detail
CHEMBL5171981
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Basic Information
| ChEMBL ID | CHEMBL5171981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEFJBHGOFPCICQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
5.52
ALogP
6
HBA
1
HBD
61.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.64 | 5.64 | 2270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 2270.0 | nM | 5.64 | Inhibition of electric eel AChE by Ellman's method | 35026532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35026532 | 10.1016/j.ejmech.2021.114098 | Amyloid-beta precursor protein | 2 |
| 35026532 | 10.1016/j.ejmech.2021.114098 | Acetylcholinesterase | 1 |
| 35026532 | 10.1016/j.ejmech.2021.114098 | Unchecked | 1 |
| 35026532 | 10.1016/j.ejmech.2021.114098 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine