Compound Detail
CHEMBL5205750
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Basic Information
| ChEMBL ID | CHEMBL5205750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGTDTRRECQYDFW-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
307.1
MW (Da)
4.09
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 7.47 | 7.47 | 34.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 34.2 | nM | 7.47 | Inhibition of his-tagged SARS CoV-2 main protease expressed in HEK cells using B... | 35709506 |
| Replicase polyprotein 1ab | IC50 | = | 34.2 | nM | 7.47 | Inhibition of SARS-CoV-2 Main protease | 36169610 |
| Replicase polyprotein 1ab | IC50 | = | 34.0 | nM | 7.47 | Inhibition of SARS CoV-2 MPro | 39146284 |
| Replicase polyprotein 1ab | IC50 | = | 34.2 | nM | 7.47 | 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 | 3 |
| 36169610 | 10.1021/acs.jmedchem.2c01005 | Replicase polyprotein 1ab | 2 |
| 39146284 | 10.1021/acs.jmedchem.4c00535 | ADMET | 2 |
| 35709506 | 10.1021/acs.jmedchem.2c00636 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine