Compound Detail
CHEMBL323046
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Basic Information
| ChEMBL ID | CHEMBL323046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYYSOMNIVKVLDR-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
214.2
MW (Da)
0.58
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 6.1 | 5.2267 | 800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 800.0 | nM | 6.1 | Inhibitory potency of compound in presence of Mn2+ ion against NS5B HCV polymera... | 15149686 |
| RNA-directed RNA polymerase | IC50 | = | 16200.0 | nM | 4.79 | Inhibitory potency against NS5B HCV polymerase | 15149686 |
| RNA-directed RNA polymerase | IC50 | = | 16200.0 | nM | 4.79 | Inhibitory potency of compound in presence of Mg2+ ion against NS5B HCV polymera... | 15149686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149686 | 10.1016/j.bmcl.2004.03.087 | RNA-directed RNA polymerase | 3 |
| 15149686 | 10.1016/j.bmcl.2004.03.087 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine