Compound Detail
CHEMBL1770906
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Basic Information
| ChEMBL ID | CHEMBL1770906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOFBOKLRCCXCOC-LBAQZLPGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
3.41
ALogP
6
HBA
2
HBD
71.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 7.03 | 6.92 | 93.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 93.3 | nM | 7.03 | Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyl... | 21269827 |
| Gamma-secretase | IC50 | = | 155.0 | nM | 6.81 | Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant as... | 21269827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21269827 | 10.1016/j.bmcl.2010.12.118 | Gamma-secretase | 2 |
| 21269827 | 10.1016/j.bmcl.2010.12.118 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine