Compound Detail
CHEMBL592027
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CC(=O)COc1ccc(NC(=O)C(C)NC(=O)c2ccc3c(c2)nc(-c2ccoc2)n3C2CCCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL592027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRTJCOXAQVQNNC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
5.53
ALogP
7
HBA
2
HBD
115.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 900.0 | nM | 6.05 | Inhibition of N-terminal hexahistidine tagged HCV 1b NS5B polymerase expressed i... | 19945870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19945870 | 10.1016/j.bmcl.2009.10.136 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine