Compound Detail
CHEMBL342145
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Basic Information
| ChEMBL ID | CHEMBL342145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAWKSIKXMYXSHO-QFIPXVFZSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.19
ALogP
3
HBA
2
HBD
82.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Cathepsin S CHEMBL2954 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 6.3 | 6.3 | 496.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 31.0 | nM | 7.51 | Inhibitory activity against recombinant human cathepsin L (cat L) expressed in b... | 11741472 |
| Cathepsin S | IC50 | = | 48.0 | nM | 7.32 | Inhibitory activity against recombinant human cathepsin S (cat S) expressed in b... | 11741472 |
| Cathepsin B | IC50 | = | 496.0 | nM | 6.3 | Inhibitory activity against recombinant human cathepsin B (cat B) expressed in b... | 11741472 |
| Cathepsin B | IC50 | = | 496.0 | nM | 6.3 | Inhibition of recombinant human cathepsin B expressed in baculovirus expression ... | 30473362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11741472 | 10.1021/jm010206q | Cathepsin B | 1 |
| 11741472 | 10.1021/jm010206q | Procathepsin L | 1 |
| 11741472 | 10.1021/jm010206q | Cathepsin S | 1 |
| 30473362 | 10.1016/j.bmc.2018.10.017 | Cathepsin B | 1 |
Data from ChEMBL 36 via Core Engine