Compound Detail
CHEMBL375635
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Basic Information
| ChEMBL ID | CHEMBL375635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKVKEAZDIIKMGP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
385.9
MW (Da)
7.00
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
| Gamma-secretase CHEMBL2094135 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6900.0 | nM | 5.16 | Inhibition of beta amyloid protein 42 in human H4 cells overexpressing APP695 | 17181139 |
| Gamma-secretase | IC50 | = | 100000.0 | nM | 4.0 | Modulation of gamma-secretase activity in human H4 cells expressing APP695 asses... | 21763147 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17181139 | 10.1021/jm0610200 | Unchecked | 3 |
| 21763147 | 10.1016/j.bmc.2011.06.062 | Gamma-secretase | 3 |
Data from ChEMBL 36 via Core Engine