Compound Detail
CHEMBL140241
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CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)N(C)C=O)=CC[C@@H]32)C1
Basic Information
| ChEMBL ID | CHEMBL140241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWFDYAWULNEXBD-YULCGJSVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
371.6
MW (Da)
4.98
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 4.31 | 4.31 | 48977.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 48977.88 | nM | 4.31 | Compound was tested for the in silico inhibition of acetylcholinesterase | 14643329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14643329 | 10.1016/j.bmcl.2003.09.034 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine