Compound Detail
CHEMBL140794
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL140794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZYIRUNDFQOSET-KRWDZBQOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
1.60
ALogP
3
HBA
2
HBD
82.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Cathepsin S CHEMBL2954 | IC50 | 6.65 | 6.65 | 226.0 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 170.0 | nM | 6.77 | Inhibitory activity against recombinant human cathepsin L (cat L) expressed in b... | 11741472 |
| Cathepsin S | IC50 | = | 226.0 | nM | 6.65 | Inhibitory activity against recombinant human cathepsin S (cat S) expressed in b... | 11741472 |
| Cathepsin B | IC50 | = | 34000.0 | nM | 4.47 | Inhibitory activity against recombinant human cathepsin B (cat B) expressed in b... | 11741472 |
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 |
Data from ChEMBL 36 via Core Engine