Compound Detail
CHEMBL140756
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Basic Information
| ChEMBL ID | CHEMBL140756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWPXTIFAGIZWNX-QHCPKHFHSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
3.49
ALogP
3
HBA
2
HBD
82.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 7.35 | 7.205 | 45.0 | 2 |
| Cathepsin S CHEMBL2954 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 6.0 | nM | 8.22 | Inhibitory activity against recombinant human cathepsin L (cat L) expressed in b... | 11741472 |
| Cathepsin B | IC50 | = | 45.0 | nM | 7.35 | Inhibitory activity against recombinant human cathepsin B (cat B) expressed in b... | 11741472 |
| Cathepsin B | IC50 | = | 87.0 | nM | 7.06 | Inhibitory activity against recombinant human cathepsin B (cat B) expressed in b... | 11741472 |
| Cathepsin S | IC50 | = | 88.0 | nM | 7.06 | Inhibitory activity against recombinant human cathepsin S (cat S) expressed in b... | 11741472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11741472 | 10.1021/jm010206q | Cathepsin B | 2 |
| 11741472 | 10.1021/jm010206q | Procathepsin L | 1 |
| 11741472 | 10.1021/jm010206q | Cathepsin S | 1 |
Data from ChEMBL 36 via Core Engine