Compound Detail
CHEMBL182956
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Basic Information
| ChEMBL ID | CHEMBL182956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMUVUIMPWWGDDN-FQEVSTJZSA-N |
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
3.29
ALogP
6
HBA
3
HBD
80.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 9.7 | 9.35 | 0.2 | 2 |
| Cathepsin K CHEMBL3349 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Cathepsin S CHEMBL2954 | IC50 | 6.99 | 6.99 | 102.0 | 2 |
| Cathepsin B CHEMBL4072 | IC50 | 6.91 | 6.91 | 123.0 | 2 |
| Procathepsin L CHEMBL3837 | IC50 | 6.45 | 6.45 | 352.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 0.2 | nM | 9.7 | Inhibitory concentration against human cathepsin K | 15261289 |
| Cathepsin K | IC50 | = | 1.0 | nM | 9.0 | Inhibitory concentration against humanized rabbit cathepsin K | 15261289 |
| Cathepsin K | IC50 | = | 1.0 | nM | 9.0 | Inhibitory activity against cathepsin K using humanized rabbit enzyme | 16154747 |
| Cathepsin S | IC50 | = | 102.0 | nM | 6.99 | Inhibitory concentration against human cathepsin S | 15261289 |
| Cathepsin S | IC50 | = | 102.0 | nM | 6.99 | Inhibitory activity against cathepsin S from human | 16154747 |
| Cathepsin B | IC50 | = | 123.0 | nM | 6.91 | Inhibitory concentration against human cathepsin B | 15261289 |
| Cathepsin B | IC50 | = | 123.0 | nM | 6.91 | Inhibitory activity against cathepsin B from human | 16154747 |
| Procathepsin L | IC50 | = | 352.0 | nM | 6.45 | Inhibitory concentration against human cathepsin L | 15261289 |
| Procathepsin L | IC50 | = | 352.0 | nM | 6.45 | Inhibitory activity against cathepsin L from human | 16154747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15261289 | 10.1016/j.bmcl.2004.05.087 | Cathepsin K | 2 |
| 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 |
| 15261289 | 10.1016/j.bmcl.2004.05.087 | Cathepsin B | 1 |
| 16154747 | 10.1016/j.bmcl.2005.07.071 | Cathepsin K | 1 |
| 16154747 | 10.1016/j.bmcl.2005.07.071 | Cathepsin B | 1 |
| 16154747 | 10.1016/j.bmcl.2005.07.071 | Procathepsin L | 1 |
| 16154747 | 10.1016/j.bmcl.2005.07.071 | Cathepsin S | 1 |
Data from ChEMBL 36 via Core Engine