Compound Detail
CHEMBL62664
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CN1CC[C@@]2(C)c3cc(OC(=O)NCCCCCCCCCCCN4CCOCC4)ccc3N(C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL62664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKBQETKGWDWQQB-PXJZQJOASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.7
MW (Da)
4.99
ALogP
6
HBA
1
HBD
57.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of Acetylcholinesterase (AChE) from human RBC | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00371-Y | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine