Compound Detail
CHEMBL183812
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Basic Information
| ChEMBL ID | CHEMBL183812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEMWXCUECCHZDO-AMGKYWFPSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
2.44
ALogP
4
HBA
0
HBD
53.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 10.32 | 10.32 | 0.0 | 1 |
| Procathepsin L CHEMBL3837 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Pro-cathepsin H CHEMBL2225 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 0.048 | nM | 10.32 | Inhibitory concentration against human cathepsin K using 10 uM Cbz-Phe-Arg-AMC | 15780613 |
| Procathepsin L | IC50 | = | 0.71 | nM | 9.15 | Inhibitory concentration against human cathepsin L using 5 uM Cbz-Phe-Arg-AMC | 15780613 |
| Cathepsin B | IC50 | = | 2.4 | nM | 8.62 | Inhibitory concentration against human cathepsin B using 10 uM Cbz-Phe-Arg-AMC | 15780613 |
| Pro-cathepsin H | IC50 | = | 40.0 | nM | 7.4 | Inhibitory concentration against human cathepsin H using 50 uM L-Arg-beta-naphth... | 15780613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15780613 | 10.1016/j.bmcl.2005.02.033 | Cathepsin K | 1 |
| 15780613 | 10.1016/j.bmcl.2005.02.033 | Cathepsin B | 1 |
| 15780613 | 10.1016/j.bmcl.2005.02.033 | Pro-cathepsin H | 1 |
| 15780613 | 10.1016/j.bmcl.2005.02.033 | Procathepsin L | 1 |
Data from ChEMBL 36 via Core Engine