Compound Detail
CHEMBL121801
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Basic Information
| ChEMBL ID | CHEMBL121801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBIBCNWGHJGDOJ-JINQPTGOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
418.6
MW (Da)
4.26
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 5.24 | 5.24 | 5788.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 51.0 | nM | 7.29 | In vitro inhibitory activity against human cathepsin K, using 2 uM of Z -Leu-Arg... | 12904076 |
| Cathepsin B | IC50 | = | 5788.0 | nM | 5.24 | In vitro inhibitory activity against human cathepsin B, 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