Compound Detail
CHEMBL208843
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Cc1nc(COc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)cc2)c(-c2ccc(Cl)cc2)o1
Basic Information
| ChEMBL ID | CHEMBL208843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLWCSFNCSWFWBW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
542.0
MW (Da)
8.10
ALogP
6
HBA
1
HBD
90.4
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 6.24 | 6.24 | 580.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 580.0 | nM | 6.24 | Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B ... | 16854079 |
| RNA-directed RNA polymerase | IC50 | = | 580.0 | nM | 6.24 | Inhibition of Hepatitis C virus genotype 1 NS5B polymerases lacking C-terminal 4... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854079 | 10.1021/jm060269e | Hepatitis C virus | 2 |
| - | 10.1007/s00044-012-0186-8 | RNA-directed RNA polymerase | 2 |
| 16854079 | 10.1021/jm060269e | Huh-5-2 | 1 |
| 16854079 | 10.1021/jm060269e | RNA-directed RNA polymerase | 1 |
Data from ChEMBL 36 via Core Engine