Compound Detail
CHEMBL257540
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COc1ccccc1CNCCCNCCCNCCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21
Basic Information
| ChEMBL ID | CHEMBL257540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLCQQMLZYJKGLV-UHFFFAOYSA-O |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
577.8
MW (Da)
5.26
ALogP
6
HBA
5
HBD
101.2
PSA (Ų)
0.05
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 6.02 | 6.02 | 952.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 952.0 | nM | 6.02 | Inhibition of human AchE | 18181565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18181565 | 10.1021/jm7009364 | Acetylcholinesterase | 2 |
Data from ChEMBL 36 via Core Engine