Compound Detail
CHEMBL3653702
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Basic Information
| ChEMBL ID | CHEMBL3653702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWVBEWBNSOHPSD-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
409.9
MW (Da)
4.57
ALogP
5
HBA
1
HBD
69.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 9.15 | 6.085 | 0.7 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 0.7 | nM | 9.15 | Diluted TR-FRET Assay: TR-FRET AssayThe beta-secretase enzyme used in the TR-FRE... | - |
| Beta-secretase 1 | IC50 | = | 2570.0 | nM | 5.59 | TR-FRET Assay: The beta-secretase enzyme used in the TR-FRET is prepared as foll... | - |
| Beta-secretase 1 | IC50 | = | 7040.0 | nM | 5.15 | TR-FRET Assay: The beta-secretase enzyme used in the TR-FRET is prepared as foll... | - |
| Beta-secretase 1 | IC50 | = | 35700.0 | nM | 4.45 | TR-FRET Assay: The beta-secretase enzyme used in the TR-FRET is prepared as foll... | - |
Data from ChEMBL 36 via Core Engine