Compound Detail
CHEMBL5287068
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Basic Information
| ChEMBL ID | CHEMBL5287068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWDPTWNRDSEZQH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
243.2
MW (Da)
2.18
ALogP
3
HBA
1
HBD
46.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.77
IC50 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | EC50 | 7.77 | 7.77 | 17.1 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | EC50 | = | 17.1 | nM | 7.77 | Antiviral activity against SARS-CoV-2 variant Omicron BA.2 infected in African g... | 37229831 |
| Replicase polyprotein 1ab | IC50 | = | 830.0 | nM | 6.08 | Inhibition of SARS-CoV-2 Main protease | 36169610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36169610 | 10.1021/acs.jmedchem.2c01005 | Replicase polyprotein 1ab | 1 |
| 37229831 | 10.1016/j.ejmech.2023.115503 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine