Compound Detail
CHEMBL116402
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Basic Information
| ChEMBL ID | CHEMBL116402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CABJFQPQQUDNAL-ZFWWWQNUSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
3.83
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 8.57 | 8.57 | 2.7 | 4 |
| Procathepsin L CHEMBL3837 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 2.7 | nM | 8.57 | Inhibitory concentration against recombinant human cathepsin K determined in a f... | 15177446 |
| Cathepsin K | IC50 | = | 2.7 | nM | 8.57 | Inhibition of 10 uM Cbz-Phe-Arg-AMC binding to human cathepsin K by fluorescence... | 15993587 |
| Cathepsin K | IC50 | = | 2.7 | nM | 8.57 | Inhibitory concentration against human cathepsin K using 10 uM Cbz-Phe-Arg-AMC | 15780613 |
| Cathepsin K | IC50 | = | 2.7 | nM | 8.57 | Inhibition of human recombinant cathepsin K | 18053726 |
| Procathepsin L | IC50 | = | 270.0 | nM | 6.57 | Inhibitory concentration against recombinant human cathepsin L was determined in... | 15177446 |
| Cathepsin B | IC50 | = | 400.0 | nM | 6.4 | Inhibitory concentration against recombinant human cathepsin B was determined in... | 15177446 |
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 |
| 15993587 | 10.1016/j.bmcl.2005.05.091 | Cathepsin K | 1 |
| 15780613 | 10.1016/j.bmcl.2005.02.033 | Cathepsin K | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Cathepsin K | 1 |
Data from ChEMBL 36 via Core Engine