Compound Detail
CHEMBL5598082
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Basic Information
| ChEMBL ID | CHEMBL5598082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAGVBXAAVAMIQX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.8
MW (Da)
4.62
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.93 | 6.93 | 117.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 117.0 | nM | 6.93 | Inhibition of full-length SARS CoV-2 MPro expressed in Escherichia coli BL21(DE3... | 39146284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39146284 | 10.1021/acs.jmedchem.4c00535 | Replicase polyprotein 1ab | 2 |
| 39146284 | 10.1021/acs.jmedchem.4c00535 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine