Compound Detail
CHEMBL430225
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Basic Information
| ChEMBL ID | CHEMBL430225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKCLZOGMQMSPMG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
3.78
ALogP
4
HBA
4
HBD
103.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 4.66 | 4.66 | 21797.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 21797.0 | nM | 4.66 | Inhibition of human cathepsin L | 18499453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18499453 | 10.1016/j.bmcl.2008.04.065 | Procathepsin L | 1 |
Data from ChEMBL 36 via Core Engine