Compound Detail
CHEMBL363847
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Basic Information
| ChEMBL ID | CHEMBL363847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGODDSLNRULSMM-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
1.69
ALogP
8
HBA
1
HBD
85.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 8.22 | 8.22 | 6.0 | 2 |
| Procathepsin L CHEMBL3837 | IC50 | 7.05 | 7.05 | 89.0 | 2 |
| Cathepsin S CHEMBL2954 | IC50 | 6.82 | 6.82 | 150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 6.0 | nM | 8.22 | Inhibitory concentration against recombinant human cathepsin K by using Z-Phe-Ar... | 15537340 |
| Cathepsin K | IC50 | = | 6.0 | nM | 8.22 | Inhibition of human recombinant cathepsin K | 17256925 |
| Procathepsin L | IC50 | = | 89.0 | nM | 7.05 | Inhibitory concentration against recombinant human cathepsin L by using Z-Phe-Ar... | 15537340 |
| Procathepsin L | IC50 | = | 89.0 | nM | 7.05 | Inhibition of human recombinant cathepsin L | 17256925 |
| Cathepsin S | IC50 | = | 150.0 | nM | 6.82 | Inhibitory concentration against recombinant human cathepsin S by using Z-Leu-Le... | 15537340 |
| Cathepsin S | IC50 | = | 150.0 | nM | 6.82 | Inhibition of human recombinant cathepsin S | 17256925 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15537340 | 10.1021/jm0493111 | Cathepsin K | 1 |
| 15537340 | 10.1021/jm0493111 | Procathepsin L | 1 |
| 15537340 | 10.1021/jm0493111 | Cathepsin S | 1 |
| 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