Compound Detail
CHEMBL1269810
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Basic Information
| ChEMBL ID | CHEMBL1269810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHRFFXUXTGIZOH-SAPNQHFASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
2.47
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 5.27 | 5.27 | 5410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 5410.0 | nM | 5.27 | Inhibition of human liver cathepsin L after 5 mins by microplate reader analysis | 20933415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20933415 | 10.1016/j.bmcl.2010.09.026 | Procathepsin L | 1 |
| 20933415 | 10.1016/j.bmcl.2010.09.026 | Cathepsin B | 1 |
| 28865277 | 10.1016/j.ejmech.2017.08.033 | Tyrosinase | 1 |
Data from ChEMBL 36 via Core Engine