Compound Detail
CHEMBL2310903
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COc1ccc(CN2CCN(CN3CCC[C@@H]4[C@H]5C=C(C)C[C@]43c3ccc(O)nc3C5)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL2310903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEGOSTKWFQYTAV-ZLZBJJAKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
4.00
ALogP
6
HBA
1
HBD
52.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 4.99 | 4.99 | 10297.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 10297.0 | nM | 4.99 | Inhibitory concentration against acetylcholinesterase from rat cortex homogenate... | 15664805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664805 | 10.1016/j.bmcl.2004.11.060 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine