Compound Detail
CHEMBL5632465
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Basic Information
| ChEMBL ID | CHEMBL5632465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYPXDYQLFJTJKT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
336.5
MW (Da)
3.69
ALogP
4
HBA
1
HBD
42.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 5.22 | 5.22 | 6042.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 340.0 | nM | 6.47 | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate prei... | 37515920 |
| Cholinesterase | IC50 | = | 6042.0 | nM | 5.22 | 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