Compound Detail
CHEMBL4641917
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CS(=O)(=O)Nc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3ccc(Cl)cc3n2Cc2ccnc(N)c2)c1
Basic Information
| ChEMBL ID | CHEMBL4641917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMGANSJPVOEXRZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
627.1
MW (Da)
3.17
ALogP
9
HBA
4
HBD
186.1
PSA (Ų)
0.20
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.96
IC50 1 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 11.0 | nM | 7.96 | Antiviral activity against HCV | 30639895 |
| RNA-directed RNA polymerase | IC50 | = | 39.0 | nM | 7.41 | Inhibition of HCV NS5B polymerase | 30639895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30639895 | 10.1016/j.ejmech.2018.12.045 | Hepatitis C virus | 1 |
| 30639895 | 10.1016/j.ejmech.2018.12.045 | RNA-directed RNA polymerase | 1 |
Data from ChEMBL 36 via Core Engine