Compound Detail
CHEMBL3359475
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Basic Information
| ChEMBL ID | CHEMBL3359475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MASHAPWNLZLHME-UXTSPRGOSA-N |
| Parent Compound | CHEMBL3545935 |
| Active Moiety | CHEMBL3545935 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
3.79
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3198 | IC50 | 5.54 | 5.54 | 2870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 2870.0 | nM | 5.54 | Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate p... | 25468034 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36944273 | 10.1016/j.ejmech.2023.115256 | Leishmania donovani | 3 |
| 25468034 | 10.1016/j.bmc.2014.11.004 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine