Compound Detail
CHEMBL249367
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Basic Information
| ChEMBL ID | CHEMBL249367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRHQXVGHKNGJCS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
350.9
MW (Da)
5.05
ALogP
4
HBA
0
HBD
54.5
PSA (Ų)
0.66
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
| Cathepsin S CHEMBL2954 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 2.3 | nM | 8.64 | Inhibition of cathepsin K by fluorescence assay | 17911019 |
| Unchecked | IC50 | = | 82.0 | nM | 7.09 | Inhibition of cathepsin L by fluorescence assay | 17911019 |
| Cathepsin S | IC50 | = | 490.0 | nM | 6.31 | 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