Compound Detail
CHEMBL4459000
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Basic Information
| ChEMBL ID | CHEMBL4459000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEOYONMKXKEBOY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.3
MW (Da)
6.70
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.54
IC50 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL3638332 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 5.54 | 5.54 | 2920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 81.0 | nM | 7.09 | Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase | 27520942 |
| Hepatitis C virus | EC50 | = | 2920.0 | nM | 5.54 | Antiviral activity against HCV assessed as inhibition of viral RNA replication i... | 27520942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27520942 | 10.1016/j.bmcl.2016.01.042 | Hepatitis C virus | 1 |
| 27520942 | 10.1016/j.bmcl.2016.01.042 | Genome polyprotein | 1 |
Data from ChEMBL 36 via Core Engine