Compound Detail
CHEMBL366941
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Basic Information
| ChEMBL ID | CHEMBL366941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHTRHXPOZQPPSK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
5.55
ALogP
6
HBA
1
HBD
78.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 5.16 | 5.155 | 7000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 7000.0 | nM | 5.16 | Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase acti... | 15013003 |
| RNA-directed RNA polymerase | IC50 | = | 7100.0 | nM | 5.15 | Inhibitory activity against NS5B polymerase of hepatitis C virus | 14684311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14684311 | 10.1016/j.bmcl.2003.10.023 | RNA-directed RNA polymerase | 1 |
| 14684311 | 10.1016/j.bmcl.2003.10.023 | Genome polyprotein | 1 |
| 15013003 | 10.1016/j.bmcl.2003.12.032 | RNA-directed RNA polymerase | 1 |
Data from ChEMBL 36 via Core Engine