Compound Detail
CHEMBL2207570
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Basic Information
| ChEMBL ID | CHEMBL2207570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSSXYXPPWDSHCS-ACJLOTCBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.5
MW (Da)
3.65
ALogP
6
HBA
1
HBD
83.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin S CHEMBL2954 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Procathepsin L CHEMBL3837 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin S | IC50 | = | 0.6 | nM | 9.22 | Inhibition of cathepsin S using FR-aminoluciferin as substrate preincubated for ... | 23084902 |
| Procathepsin L | IC50 | = | 130.0 | nM | 6.89 | Inhibition of cathepsin L using FR-aminoluciferin as substrate preincubated for ... | 23084902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23084902 | 10.1016/j.bmcl.2012.09.054 | Procathepsin L | 1 |
| 23084902 | 10.1016/j.bmcl.2012.09.054 | Cathepsin S | 1 |
Data from ChEMBL 36 via Core Engine