Compound Detail
CHEMBL232182
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Basic Information
| ChEMBL ID | CHEMBL232182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPAVFGFEUHBOOI-NRFANRHFSA-N |
1
Targets
2
Activities
2
Assay Types
5
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
3.43
ALogP
3
HBA
2
HBD
78.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.24
Ki 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| Gamma-secretase CHEMBL2094135 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.333 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 184.0 | nM | Canis lupus familiaris |
| F | 47.0 | % | Canis lupus familiaris |
| Fu | 0.001 | - | Canis lupus familiaris |
| T1/2 | 4.6 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | Ki | = | 1.4 | nM | 8.85 | Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes | 17502143 |
| Gamma-secretase | IC50 | = | 5.8 | nM | 8.24 | 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 | Canis familiaris | 5 |
| 17502143 | 10.1016/j.bmcl.2007.04.102 | Gamma-secretase | 2 |
| 17502143 | 10.1016/j.bmcl.2007.04.102 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine