Compound Detail
CHEMBL4471286
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COc1c(C#N)ccc2[nH]c(-c3cn4c(n3)[C@H](c3ccccc3Cl)C[C@@H](C)C4)cc12
Basic Information
| ChEMBL ID | CHEMBL4471286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFAPATLFBWZATN-PBHICJAKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
416.9
MW (Da)
5.74
ALogP
4
HBA
1
HBD
66.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 15.0 | nM | 7.82 | Inhibition of gamma secretase in human SKNBE2 cells expressing human APP695 asse... | 31122869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31122869 | 10.1016/j.bmcl.2019.05.023 | Gamma-secretase | 1 |
Data from ChEMBL 36 via Core Engine