Compound Detail
CHEMBL3680868
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Basic Information
| ChEMBL ID | CHEMBL3680868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSZVESJICQKTRE-OXJNMPFZSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
417.4
MW (Da)
2.56
ALogP
7
HBA
2
HBD
111.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Beta-secretase 2 CHEMBL2525 | IC50 | 6.23 | 6.23 | 590.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition Assay: The assay uses the principle of inhibition of human TMEM27 cle... | - |
| Beta-secretase 2 | IC50 | = | 590.0 | nM | 6.23 | Inhibition Assay: The assay uses the principle of inhibition of human TMEM27 cle... | - |
| Beta-secretase 2 | IC50 | = | 590.0 | nM | 6.23 | Inhibition Assay: The assay uses the principle of inhibition of human TMEM27 cle... | - |
Data from ChEMBL 36 via Core Engine