Compound Detail
CHEMBL333987
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Basic Information
| ChEMBL ID | CHEMBL333987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPARRLOVIJKCQH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.22
ALogP
3
HBA
2
HBD
96.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 5.99 | 5.99 | 1015.0 | 1 |
| Cathepsin S CHEMBL2954 | IC50 | 5.86 | 5.86 | 1373.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 1015.0 | nM | 5.99 | In vitro inhibitory activity against human cathepsin K, using 2 uM of Z -Leu-Arg... | 12904076 |
| Cathepsin S | IC50 | = | 1373.0 | nM | 5.86 | In vitro inhibitory activity against human cathepsin S, using 2 uM of Z -Leu-Arg... | 12904076 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12904076 | 10.1021/jm0301078 | Cathepsin K | 1 |
| 12904076 | 10.1021/jm0301078 | Procathepsin L | 1 |
| 12904076 | 10.1021/jm0301078 | Cathepsin S | 1 |
| 12904076 | 10.1021/jm0301078 | Cathepsin B | 1 |
Data from ChEMBL 36 via Core Engine