Compound Detail
CHEMBL217930
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Basic Information
| ChEMBL ID | CHEMBL217930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLZJPYQRSZCAJD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.6
MW (Da)
3.67
ALogP
6
HBA
2
HBD
93.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 9.12 | 9.12 | 0.8 | 1 |
| Cathepsin S CHEMBL2954 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Procathepsin L CHEMBL3837 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 0.75 | nM | 9.12 | Inhibition of human recombinant cathepsin K | 17256925 |
| Cathepsin S | IC50 | = | 2.3 | nM | 8.64 | Inhibition of human recombinant cathepsin S | 17256925 |
| Procathepsin L | IC50 | = | 5.1 | nM | 8.29 | Inhibition of human recombinant cathepsin L | 17256925 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17256925 | 10.1021/jm0613525 | Cathepsin K | 1 |
| 17256925 | 10.1021/jm0613525 | Procathepsin L | 1 |
| 17256925 | 10.1021/jm0613525 | Cathepsin S | 1 |
Data from ChEMBL 36 via Core Engine