Compound Detail
CHEMBL4858401
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Basic Information
| ChEMBL ID | CHEMBL4858401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZAVRKCUYNPFSL-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.8
MW (Da)
4.82
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.94
IC50 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 4.94 | 4.94 | 11500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 380.0 | nM | 6.42 | Inhibition of SARS-CoV-2 3CL protease using HiyteFluor-488ESATL-QSGLRKAK-(QXL)-N... | 34528437 |
| SARS-CoV-2 | EC50 | = | 11500.0 | nM | 4.94 | Antiviral activity against SARS-CoV-2 JPN/TY/WK-251 infected in Vero E6 cells af... | 34528437 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34528437 | 10.1021/acs.jmedchem.1c01214 | Unchecked | 1 |
| 34528437 | 10.1021/acs.jmedchem.1c01214 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine