Compound Detail
CHEMBL3769487
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Basic Information
| ChEMBL ID | CHEMBL3769487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGIGSZKPVVQDGA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
3.75
ALogP
8
HBA
2
HBD
89.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.54
EC50 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | EC50 | 7.54 | 7.54 | 29.0 | 1 |
| Gamma-secretase CHEMBL2094135 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | EC50 | = | 29.0 | nM | 7.54 | Modulation of gamma-secretase in human H4 cells expressing APP Swedish mutant as... | 27007185 |
| Gamma-secretase | IC50 | = | 29.0 | nM | 7.54 | Modulation of gamma secretase in human H4 cells transfected with APP751 SWE clon... | 26848108 |
| Unchecked | IC50 | = | 31.0 | nM | 7.51 | Inhibition of amyloid beta (1 to 42) secretion in human H4 cells overexpressing ... | 30891132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30891132 | 10.1021/acsmedchemlett.8b00541 | Unchecked | 2 |
| 26848108 | 10.1016/j.bmcl.2015.06.020 | Gamma-secretase | 1 |
| 27007185 | 10.1021/acs.jmedchem.5b01960 | Gamma-secretase | 1 |
| 30891132 | 10.1021/acsmedchemlett.8b00541 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine