Compound Detail
CHEMBL1289856
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Basic Information
| ChEMBL ID | CHEMBL1289856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKTYGNJRDVXHJL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
443.8
MW (Da)
2.77
ALogP
5
HBA
2
HBD
97.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin S CHEMBL2954 | IC50 | 7.71 | 7.71 | 19.5 | 1 |
| Cathepsin K CHEMBL268 | IC50 | 7.33 | 7.33 | 46.8 | 1 |
| Cathepsin L2 CHEMBL3272 | IC50 | 5.95 | 5.95 | 1122.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin S | IC50 | = | 19.5 | nM | 7.71 | Inhibition of human cathepsin S by fluorescence assay | 21030256 |
| Cathepsin K | IC50 | = | 46.8 | nM | 7.33 | Inhibition of human cathepsin K by fluorescence assay | 21030256 |
| Cathepsin L2 | IC50 | = | 1122.0 | nM | 5.95 | Inhibition of human cathepsin V by fluorescence assay | 21030256 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21030256 | 10.1016/j.bmcl.2010.10.012 | Cathepsin S | 1 |
| 21030256 | 10.1016/j.bmcl.2010.10.012 | Cathepsin K | 1 |
| 21030256 | 10.1016/j.bmcl.2010.10.012 | Cathepsin B | 1 |
| 21030256 | 10.1016/j.bmcl.2010.10.012 | Procathepsin L | 1 |
| 21030256 | 10.1016/j.bmcl.2010.10.012 | Cathepsin L2 | 1 |
Data from ChEMBL 36 via Core Engine