Compound Detail
CHEMBL4853474
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Basic Information
| ChEMBL ID | CHEMBL4853474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUGRGKZJSHHZGX-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.7
MW (Da)
3.74
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.51
IC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 590.0 | nM | 6.23 | Inhibition of SARS-CoV-2 3CL protease using HiyteFluor-488ESATL-QSGLRKAK-(QXL)-N... | 34528437 |
| SARS-CoV-2 | EC50 | = | 3100.0 | nM | 5.51 | 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