Compound Detail
CHEMBL302534
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Basic Information
| ChEMBL ID | CHEMBL302534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZFUZNAVDUQPHI-ODLFYWEKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.6
MW (Da)
4.62
ALogP
6
HBA
2
HBD
75.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin D CHEMBL2581 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin D | IC50 | = | 640.0 | nM | 6.19 | In vitro inhibition of cathepsin D. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00393-9 | Cathepsin D | 1 |
| - | 10.1016/0960-894X(96)00393-9 | Cytosol aminopeptidase | 1 |
| - | 10.1016/0960-894X(96)00393-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine