Compound Detail
CHEMBL397464
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Cc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc(C(C)(C)NS(C)(=O)=O)c(F)c4)(C4CCCC4)OC3=O)nc2n1
Basic Information
| ChEMBL ID | CHEMBL397464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDKVXXJJHSRGLO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
599.7
MW (Da)
4.53
ALogP
9
HBA
2
HBD
135.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.96
IC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 17.0 | nM | 7.77 | Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by enzymatic assa... | 17658778 |
| Hepatitis C virus | EC50 | = | 110.0 | nM | 6.96 | Antiviral activity against Hepatitis C virus infected Huh7 cells | 17658778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17658778 | 10.1021/jm0704447 | Unchecked | 1 |
| 17658778 | 10.1021/jm0704447 | Hepatitis C virus | 1 |
| 17658778 | 10.1021/jm0704447 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine