Compound Detail
CHEMBL1915581
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Basic Information
| ChEMBL ID | CHEMBL1915581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEXQJJHEJSWUMW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.5
MW (Da)
5.24
ALogP
5
HBA
1
HBD
57.9
PSA (Ų)
0.69
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 5.47 | 5.47 | 3358.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 3358.0 | nM | 5.47 | Inhibition of gamma secretase in human H4 cells overexpressing human APP assesse... | 21924610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21924610 | 10.1016/j.bmcl.2011.08.060 | Cytochrome P450 2D6 | 1 |
| 21924610 | 10.1016/j.bmcl.2011.08.060 | Gamma-secretase | 1 |
Data from ChEMBL 36 via Core Engine