Compound Detail
CHEMBL4439505
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CN=S(=O)(c1ccc(Cc2ccc(-c3[nH]c4cccc(F)c4c(=O)c3C)cc2)cc1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL4439505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUVBMCDVMDNLRZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
488.5
MW (Da)
6.21
ALogP
3
HBA
1
HBD
62.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.27 | 5.27 | 5390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 5390.0 | nM | 5.27 | Antiviral activity against EGFP-fused HCV JFH-1 harboring K78E/E2-G451R/NS3-M260... | 30938999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30938999 | 10.1021/acs.jmedchem.9b00091 | Hepatitis C virus | 2 |
| 30938999 | 10.1021/acs.jmedchem.9b00091 | Huh7.5.1 | 1 |
| 30938999 | 10.1021/acs.jmedchem.9b00091 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine