Compound Detail
CHEMBL3680863
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Basic Information
| ChEMBL ID | CHEMBL3680863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJKRHLSQOCWFJH-KBXCAEBGSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
396.3
MW (Da)
3.31
ALogP
5
HBA
2
HBD
89.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 2 CHEMBL2525 | IC50 | 9.0 | 9.0 | 1.0 | 2 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 2 | IC50 | = | 1.0 | nM | 9.0 | Inhibition Assay: The assay uses the principle of inhibition of human TMEM27 cle... | - |
| Beta-secretase 2 | IC50 | = | 1.0 | nM | 9.0 | Inhibition Assay: The assay uses the principle of inhibition of human TMEM27 cle... | - |
| Beta-secretase 1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition Assay: The assay uses the principle of inhibition of human TMEM27 cle... | - |
Data from ChEMBL 36 via Core Engine