Compound Detail
CHEMBL5631427
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Basic Information
| ChEMBL ID | CHEMBL5631427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUZZPIKJVYYGRW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
3.05
ALogP
6
HBA
1
HBD
85.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.33 | 5.33 | 4637.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 4.72 | 4.72 | 19210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 4637.0 | nM | 5.33 | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate prei... | 37515920 |
| Cholinesterase | IC50 | = | 19210.0 | nM | 4.72 | Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pr... | 37515920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37515920 | 10.1016/j.ejmech.2023.115670 | Unchecked | 2 |
| 37515920 | 10.1016/j.ejmech.2023.115670 | Acetylcholinesterase | 1 |
| 37515920 | 10.1016/j.ejmech.2023.115670 | Cholinesterase | 1 |
| 37515920 | 10.1016/j.ejmech.2023.115670 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine