Compound Detail
CHEMBL5765372
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Basic Information
| ChEMBL ID | CHEMBL5765372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDBDNOAMUOHDPM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
3.98
ALogP
4
HBA
1
HBD
56.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 7.43 | 6.67 | 37.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 37.0 | nM | 7.43 | TR-FRET Assay: The cDNA for the soluble part of the human 13-Secretase (AA 1-AA ... | - |
| Beta-secretase 1 | IC50 | = | 1220.0 | nM | 5.91 | TR-FRET Assay: The cDNA for the soluble part of the human 13-Secretase (AA 1-AA ... | - |
Data from ChEMBL 36 via Core Engine