Compound Detail
CHEMBL280721
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Basic Information
| ChEMBL ID | CHEMBL280721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTYXEXVNWGIXBV-NRFANRHFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.8
MW (Da)
5.44
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Genome polyprotein CHEMBL4620 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 15000.0 | nM | 4.82 | Inhibitory activity against Hepatitis C RNA dependent RNA polymerase Nonstructur... | 12672227 |
| Genome polyprotein | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of Hepatitis C RNA dependent RNA polymerase Nonstructural protein 5B ... | 12951122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12951122 | 10.1016/s0960-894x(03)00670-x | Genome polyprotein | 1 |
| 12672227 | 10.1021/jm0340400 | RNA-directed RNA polymerase | 1 |
Data from ChEMBL 36 via Core Engine