Compound Detail
CHEMBL248597
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Cc1ccc(S(=O)(=O)n2c3ccc(Cl)cc3c3ccc(C(C)C(=O)OCc4ccccc4)cc32)cc1
Basic Information
| ChEMBL ID | CHEMBL248597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUIOFJWDYGEHTM-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
518.0
MW (Da)
6.84
ALogP
5
HBA
0
HBD
65.4
PSA (Ų)
0.23
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.7
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Gamma-secretase CHEMBL2094135 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | EC50 | = | 20000.0 | nM | 4.7 | Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed ... | 17723298 |
| Gamma-secretase | IC50 | = | 20000.0 | nM | 4.7 | Effect on gamma-secretase activity in human H4 cells expressing APP695 assessed ... | 17723298 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17723298 | 10.1016/j.bmcl.2007.07.044 | Gamma-secretase | 3 |
| 17723298 | 10.1016/j.bmcl.2007.07.044 | H4 | 1 |
Data from ChEMBL 36 via Core Engine