Compound Detail
CHEMBL180974
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL180974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQKPXUGRVIESOZ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.07
ALogP
6
HBA
2
HBD
100.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
EC50 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 7.0 | 6.85 | 100.0 | 2 |
| RNA-directed RNA polymerase CHEMBL4296320 | EC50 | 6.35 | 6.35 | 444.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 100.0 | nM | 7.0 | Inhibitory concentration against Hepatitis C virus-RNA-dependent RNA polymerase | 15686922 |
| RNA-directed RNA polymerase | IC50 | = | 200.0 | nM | 6.7 | Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay | 16451063 |
| RNA-directed RNA polymerase | EC50 | = | 444.0 | nM | 6.35 | Inhibition of HCV RNA replication in Huh7 cells | 16451063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16451063 | 10.1021/jm050855s | RNA-directed RNA polymerase | 3 |
| 15686922 | 10.1016/j.bmcl.2004.12.030 | RNA-directed RNA polymerase | 1 |
Data from ChEMBL 36 via Core Engine