Compound Detail
CHEMBL3410478
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Basic Information
| ChEMBL ID | CHEMBL3410478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNLXCPCVQJMBHE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.9
MW (Da)
4.50
ALogP
6
HBA
0
HBD
61.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.14 | 5.14 | 7310.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.14 | 5.14 | 7310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 7310.0 | nM | 5.14 | Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide a... | 25636055 |
| Acetylcholinesterase | IC50 | = | 7310.0 | nM | 5.14 | Inhibition of AChE (unknown origin) | 37515920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25636055 | 10.1016/j.ejmech.2015.01.044 | Acetylcholinesterase | 1 |
| 25636055 | 10.1016/j.ejmech.2015.01.044 | Cholinesterase | 1 |
| 37515920 | 10.1016/j.ejmech.2023.115670 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine