Compound Detail
CHEMBL5404766
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Basic Information
| ChEMBL ID | CHEMBL5404766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLFQAQWTSXYYBV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.2
MW (Da)
3.05
ALogP
6
HBA
1
HBD
89.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 5.8 | 5.8 | 1590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 1590.0 | nM | 5.8 | Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli using [NH2-... | 37849558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37849558 | 10.1021/acsmedchemlett.3c00335 | Replicase polyprotein 1ab | 1 |
| 37849558 | 10.1021/acsmedchemlett.3c00335 | SARS-CoV-2 | 1 |
| 37849558 | 10.1021/acsmedchemlett.3c00335 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine