Compound Detail
CHEMBL96875
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Basic Information
| ChEMBL ID | CHEMBL96875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBMGXPJNZKYOQY-VIFPVBQESA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
215.3
MW (Da)
2.27
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 7.29 | 7.29 | 51.0 | 5 |
| Procathepsin L CHEMBL3837 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 51.0 | nM | 7.29 | Concentration required to inhibit 50% of cysteine protease cathepsin K of human | 14736240 |
| Cathepsin K | IC50 | = | 51.0 | nM | 7.29 | Inhibitory activity against recombinant human cathepsin K | 14684342 |
| Cathepsin K | IC50 | = | 51.0 | nM | 7.29 | Inhibitory activity against human cathepsin K | 14741275 |
| Cathepsin K | IC50 | = | 51.0 | nM | 7.29 | Inhibitory concentration against recombinant human cathepsin K determined in a f... | 15177446 |
| Cathepsin K | IC50 | = | 51.0 | nM | 7.29 | Inhibition of recombinant human cathepsin K in a fluorescence assay | 16290936 |
| Procathepsin L | IC50 | = | 8900.0 | nM | 5.05 | Inhibition of recombinant human cathepsin L in a fluorescence assay | 16290936 |
| Cathepsin B | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of recombinant human cathepsin B in a fluorescence assay | 16290936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14736240 | 10.1021/jm030373l | Cathepsin K | 1 |
| 14684342 | 10.1016/j.bmcl.2003.09.088 | Cathepsin K | 1 |
| 14741275 | 10.1016/j.bmcl.2003.11.029 | Cathepsin K | 1 |
| 15177446 | 10.1016/j.bmcl.2004.04.084 | Cathepsin K | 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