Compound Detail
CHEMBL117658
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Basic Information
| ChEMBL ID | CHEMBL117658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONABDOMWRCXLPX-KRWDZBQOSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
4.03
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 9.46 | 9.46 | 0.3 | 2 |
| Cathepsin B CHEMBL4072 | IC50 | 6.09 | 6.09 | 810.0 | 2 |
| Procathepsin L CHEMBL3837 | IC50 | 5.7 | 5.7 | 2000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 0.35 | nM | 9.46 | Inhibitory concentration against recombinant human cathepsin K determined in a f... | 15177446 |
| Cathepsin K | IC50 | = | 0.35 | nM | 9.46 | Inhibition of recombinant human cathepsin K in a fluorescence assay | 16290936 |
| Cathepsin B | IC50 | = | 810.0 | nM | 6.09 | Inhibitory concentration against recombinant human cathepsin B was determined in... | 15177446 |
| Cathepsin B | IC50 | = | 810.0 | nM | 6.09 | Inhibition of recombinant human cathepsin B in a fluorescence assay | 16290936 |
| Procathepsin L | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory concentration against recombinant human cathepsin L was determined in... | 15177446 |
| Procathepsin L | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of recombinant human cathepsin L in a fluorescence assay | 16290936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15177446 | 10.1016/j.bmcl.2004.04.084 | Cathepsin K | 1 |
| 15177446 | 10.1016/j.bmcl.2004.04.084 | Cathepsin B | 1 |
| 15177446 | 10.1016/j.bmcl.2004.04.084 | Procathepsin L | 1 |
| 16290936 | 10.1016/j.bmcl.2005.10.108 | Cathepsin K | 1 |
| 16290936 | 10.1016/j.bmcl.2005.10.108 | Cathepsin B | 1 |
| 16290936 | 10.1016/j.bmcl.2005.10.108 | Pro-cathepsin H | 1 |
| 16290936 | 10.1016/j.bmcl.2005.10.108 | Procathepsin L | 1 |
Data from ChEMBL 36 via Core Engine