Compound Detail
CHEMBL4076162
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O=[N+]([O-])c1ccc(S(=O)(=O)NCCCN2CCN(CCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL4076162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTFVYBDGKDKDDO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
570.6
MW (Da)
1.16
ALogP
10
HBA
2
HBD
185.1
PSA (Ų)
0.19
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.74 | 4.74 | 18100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 18100.0 | nM | 4.74 | Antiviral activity against HCV genotype 1b infected in human HuH5.2 cells with p... | 27810598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27810598 | 10.1016/j.ejmech.2016.10.043 | Hepatitis C virus | 2 |
| 27810598 | 10.1016/j.ejmech.2016.10.043 | Unchecked | 2 |
| 27810598 | 10.1016/j.ejmech.2016.10.043 | Huh-5-2 | 1 |
Data from ChEMBL 36 via Core Engine