Compound Detail
CHEMBL495231
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Basic Information
| ChEMBL ID | CHEMBL495231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQUUVUDFHHMCTC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
5.41
ALogP
2
HBA
2
HBD
65.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1a CHEMBL3927 | IC50 | 4.76 | 4.76 | 17200.0 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 4.76 | 4.76 | 17200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1a | IC50 | = | 17200.0 | nM | 4.76 | Inhibition of human SARS coronavirus 3C like protease | 18343121 |
| Replicase polyprotein 1ab | IC50 | = | 17200.0 | nM | 4.76 | Inhibition of SARS-CoV-2 3CL protease using 2-aminobenzoyl-SVTLQSG-Tyr(NO2)-R as... | 26878082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18343121 | 10.1016/j.bmc.2008.01.011 | Replicase polyprotein 1a | 2 |
| 26878082 | 10.1021/acs.jmedchem.5b01461 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine