Compound Detail
CHEMBL1530148
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Basic Information
| ChEMBL ID | CHEMBL1530148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHYVKNDONGWIHK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
3.64
ALogP
5
HBA
1
HBD
50.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | IC50 | 4.65 | 4.65 | 22390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | IC50 | = | 22390.0 | nM | 4.65 | Antiviral activity against pseudovirus SARS-CoV-2 spike protein infected in HEK2... | 34394844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34394844 | 10.1021/acsmedchemlett.1c00263 | SARS-CoV-2 | 4 |
| 34394844 | 10.1021/acsmedchemlett.1c00263 | Vesicular stomatitis virus | 2 |
| 34394844 | 10.1021/acsmedchemlett.1c00263 | HEK293 | 2 |
| 34394844 | 10.1021/acsmedchemlett.1c00263 | Vero C1008 | 2 |
Data from ChEMBL 36 via Core Engine