Compound Detail
CHEMBL4784404
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Basic Information
| ChEMBL ID | CHEMBL4784404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKGYHEXXWSDNGH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
409.2
MW (Da)
3.43
ALogP
3
HBA
1
HBD
80.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 47.0 | nM | 7.33 | Inhibition of SARS CoV2 C-terminal His6-tagged 3CL protease expressed in Escheri... | 32798789 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32798789 | 10.1016/j.ejmech.2020.112702 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine