Compound Detail
CHEMBL184859
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Basic Information
| ChEMBL ID | CHEMBL184859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNRVBUZMGUEKCJ-QHCPKHFHSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
405.6
MW (Da)
3.23
ALogP
5
HBA
3
HBD
80.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin B CHEMBL4072 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Cathepsin K CHEMBL3349 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Cathepsin S CHEMBL2954 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Procathepsin L CHEMBL3837 | IC50 | 6.94 | 6.94 | 115.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin B | IC50 | = | 26.0 | nM | 7.58 | Inhibitory concentration against human cathepsin B | 15261289 |
| Cathepsin K | IC50 | = | 27.0 | nM | 7.57 | Inhibitory concentration against humanized rabbit cathepsin K | 15261289 |
| Cathepsin S | IC50 | = | 34.0 | nM | 7.47 | Inhibitory concentration against human cathepsin S | 15261289 |
| Procathepsin L | IC50 | = | 115.0 | nM | 6.94 | Inhibitory concentration against human cathepsin L | 15261289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15261289 | 10.1016/j.bmcl.2004.05.087 | Cathepsin K | 1 |
| 15261289 | 10.1016/j.bmcl.2004.05.087 | Cathepsin B | 1 |
| 15261289 | 10.1016/j.bmcl.2004.05.087 | Procathepsin L | 1 |
| 15261289 | 10.1016/j.bmcl.2004.05.087 | Cathepsin S | 1 |
| 15261289 | 10.1016/j.bmcl.2004.05.087 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine