Compound Detail
CHEMBL401925
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Basic Information
| ChEMBL ID | CHEMBL401925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJVHAJJEMJNPHN-UITAMQMPSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
199.3
MW (Da)
1.31
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
EC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Procathepsin L CHEMBL3837 | IC50 | 5.27 | 5.27 | 5330.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 140.0 | nM | 6.85 | Inhibition of mushroom tyrosinase | 18326070 |
| Procathepsin L | IC50 | = | 5330.0 | nM | 5.27 | Inhibition of human recombinant Cathepsin L assessed as Kinact using Z-FR-AMC as... | 32539378 |
| Unchecked | EC50 | = | 6400.0 | nM | 5.19 | Antiviral activity against pseudovirus SARS-CoV spike protein infected in HeLa c... | 32539378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18326070 | 10.1016/j.bmc.2007.10.102 | Tyrosinase | 1 |
| 32539378 | 10.1021/acs.jmedchem.0c00502 | Procathepsin L | 1 |
| 32539378 | 10.1021/acs.jmedchem.0c00502 | Unchecked | 1 |
| 32539378 | 10.1021/acs.jmedchem.0c00502 | Vero | 1 |
Data from ChEMBL 36 via Core Engine