Compound Detail
CHEMBL5200573
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Basic Information
| ChEMBL ID | CHEMBL5200573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHSAAHBYBUISFJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
4.77
ALogP
7
HBA
1
HBD
70.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholine receptor subunit epsilon CHEMBL2484 | IC50 | 7.06 | 7.06 | 87.1 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.92 | 5.92 | 1202.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholine receptor subunit epsilon | IC50 | = | 87.1 | nM | 7.06 | Inhibition of human AChE by Ellman's method | 35026532 |
| Acetylcholinesterase | IC50 | = | 1210.0 | nM | 5.92 | Inhibition of electric eel AChE by Ellman's method | 35026532 |
| Acetylcholinesterase | IC50 | = | 1202.26 | nM | 5.92 | 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 | 2 |
| 35026532 | 10.1016/j.ejmech.2021.114098 | Unchecked | 1 |
| 35026532 | 10.1016/j.ejmech.2021.114098 | Acetylcholine receptor subunit epsilon | 1 |
| 35026532 | 10.1016/j.ejmech.2021.114098 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine