Compound Detail
CHEMBL3408398
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Basic Information
| ChEMBL ID | CHEMBL3408398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNBZIVATRSEDRH-UHFFFAOYSA-M |
| Parent Compound | CHEMBL3559213 |
| Active Moiety | CHEMBL3559213 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
5.05
ALogP
1
HBA
0
HBD
17.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 4.1 | nM | 8.39 | Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's re... | 25681712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25681712 | 10.1016/j.ejmech.2015.02.009 | Acetylcholinesterase | 2 |
Data from ChEMBL 36 via Core Engine