Compound Detail
CHEMBL4130028
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Basic Information
| ChEMBL ID | CHEMBL4130028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXIQGHCEJQTZKF-KRWDZBQOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
2.99
ALogP
3
HBA
2
HBD
82.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Cathepsin L CHEMBL4295862 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 110.0 | nM | 6.96 | Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 ... | 29650289 |
| Cathepsin L | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of Toxoplasma gondii cathepsin L using Z-L-R-AMC as substrate preincu... | 29650289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29650289 | 10.1016/j.bmcl.2018.03.020 | Cathepsin L | 1 |
| 29650289 | 10.1016/j.bmcl.2018.03.020 | Procathepsin L | 1 |
| 29650289 | 10.1016/j.bmcl.2018.03.020 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine