Compound Detail
CHEMBL387301
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O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3-c3ccccc3)cc1F)n2C1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL387301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYHTXZXOPOUOID-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
8.29
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
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 | Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B ... | 16854079 |
| RNA-directed RNA polymerase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Hepatitis C virus genotype 1 NS5B polymerases lacking C-terminal 4... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0186-8 | RNA-directed RNA polymerase | 2 |
| 16854079 | 10.1021/jm060269e | RNA-directed RNA polymerase | 1 |
Data from ChEMBL 36 via Core Engine