Compound Detail
CHEMBL3645172
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Basic Information
| ChEMBL ID | CHEMBL3645172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRRWRNWYWPFBKV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
395.3
MW (Da)
4.31
ALogP
5
HBA
2
HBD
80.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 7.5 | 7.5 | 32.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 32.0 | nM | 7.5 | Inhibition Assay: Inhibition assay using beta-Secretase activity. | - |
| Beta-secretase 1 | IC50 | = | 32.0 | nM | 7.5 | Inhibition Assay: Zero point five μL of the test compounds (dissolved in N,N′-di... | - |
Data from ChEMBL 36 via Core Engine