Compound Detail
CHEMBL250590
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Basic Information
| ChEMBL ID | CHEMBL250590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSDDWOIIKLKPAK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
3.95
ALogP
5
HBA
0
HBD
63.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| Cathepsin S CHEMBL2954 | IC50 | 6.09 | 6.09 | 820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 1.0 | nM | 9.0 | Inhibition of cathepsin K by fluorescence assay | 17911019 |
| Unchecked | IC50 | = | 540.0 | nM | 6.27 | Inhibition of cathepsin L by fluorescence assay | 17911019 |
| Cathepsin S | IC50 | = | 820.0 | nM | 6.09 | Inhibition of cathepsin S by fluorescence assay | 17911019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17911019 | 10.1016/j.bmcl.2007.09.047 | Cathepsin K | 1 |
| 17911019 | 10.1016/j.bmcl.2007.09.047 | Unchecked | 1 |
| 17911019 | 10.1016/j.bmcl.2007.09.047 | Cathepsin S | 1 |
Data from ChEMBL 36 via Core Engine