Compound Detail
CHEMBL496179
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Basic Information
| ChEMBL ID | CHEMBL496179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPNCFNLNJUPFKN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
272.7
MW (Da)
3.44
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV CHEMBL4303836 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV | IC50 | = | 230.0 | nM | 6.64 | Antiviral activity against SARS-CoV Urbani in african green monkey Vero E6 cells... | 18796354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18796354 | 10.1016/j.bmcl.2008.08.082 | Replicase polyprotein 1a | 1 |
| 18796354 | 10.1016/j.bmcl.2008.08.082 | SARS-CoV | 1 |
Data from ChEMBL 36 via Core Engine