Compound Detail
CHEMBL556217
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Basic Information
| ChEMBL ID | CHEMBL556217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYRYUJFFRVXTSV-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
395.9
MW (Da)
3.20
ALogP
3
HBA
2
HBD
82.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 6.4 | 6.4 | 398.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 398.11 | nM | 6.4 | Inhibition of cathepsin L | 19515558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19515558 | 10.1016/j.bmcl.2009.05.071 | Procathepsin L | 1 |
| 19515558 | 10.1016/j.bmcl.2009.05.071 | Cathepsin L2 | 1 |
| 19515558 | 10.1016/j.bmcl.2009.05.071 | Cathepsin S | 1 |
| 19515558 | 10.1016/j.bmcl.2009.05.071 | Cathepsin K | 1 |
| 19515558 | 10.1016/j.bmcl.2009.05.071 | Cathepsin B | 1 |
Data from ChEMBL 36 via Core Engine