Compound Detail
CHEMBL257137
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OC(CN1CCN(CC(O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1)Cn1c2ccccc2c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL257137 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSINNAXMFTZUHV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
601.6
MW (Da)
6.25
ALogP
6
HBA
2
HBD
56.8
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of beta-secretase | 18434150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18434150 | 10.1016/j.bmcl.2008.04.011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine