Compound Detail
CHEMBL306299
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Basic Information
| ChEMBL ID | CHEMBL306299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VULPIDXRASQDGN-LUQPRHOASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
-1.59
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 46000.0 | nM | 4.34 | Inhibition HCV NS5B-mediated RNA synthesis | 15084127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15084127 | 10.1021/jm030424e | RNA-directed RNA polymerase | 2 |
Data from ChEMBL 36 via Core Engine