Compound Detail
CHEMBL5220738
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CN1CCN(C(=O)Oc2ccc(-c3coc4cc(OC(=O)N5CCN(C)CC5)ccc4c3=O)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5220738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVYACQRIFYXKET-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
2.95
ALogP
8
HBA
0
HBD
95.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of rat AChE | 35858523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35858523 | 10.1016/j.ejmech.2022.114606 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine