Compound Detail
CHEMBL232938
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CC(C)C[C@H](O)NC(=O)C1(C(=O)N[C@@H]2C(=O)N(C)c3ccccc3-c3ccccc32)CCC1
Basic Information
| ChEMBL ID | CHEMBL232938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCIRGESZBXDDDZ-VXKWHMMOSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
3.14
ALogP
4
HBA
3
HBD
98.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.38
Ki 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| Gamma-secretase CHEMBL2094135 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | Ki | = | 0.9 | nM | 9.05 | Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes | 17502143 |
| Gamma-secretase | IC50 | = | 4.2 | nM | 8.38 | Inhibition of gamma secretase in APP-transfected CHO cells | 17502143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17502143 | 10.1016/j.bmcl.2007.04.102 | Gamma-secretase | 2 |
Data from ChEMBL 36 via Core Engine