Compound Detail
CHEMBL4642630
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CCc1ccc2c(-c3ccc[nH]c3=O)c(C(=O)NS(=O)(=O)C3CC3)n(Cc3cc([N+](=O)[O-])ccc3F)c2c1
Basic Information
| ChEMBL ID | CHEMBL4642630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXTJICRYUZVYPO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
538.6
MW (Da)
3.88
ALogP
7
HBA
2
HBD
144.2
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 1.0 | nM | 9.0 | Antiviral activity against HCV | 30639895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30639895 | 10.1016/j.ejmech.2018.12.045 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine