Compound Detail
CHEMBL4206056
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)C(C)OCC(CS(C)(=O)=O)N3S(C)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL4206056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSUXXBLOPRDREE-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
2.87
ALogP
7
HBA
1
HBD
123.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nonstructural protein 5A CHEMBL3307224 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
| RNA-directed RNA polymerase CHEMBL4296320 | EC50 | 7.72 | 7.26 | 19.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nonstructural protein 5A | EC50 | = | 16.0 | nM | 7.8 | Inhibition of HCV genotype 1a NS5A polymerase infected in human HuH7 replicon ce... | 29422387 |
| RNA-directed RNA polymerase | EC50 | = | 19.0 | nM | 7.72 | Inhibition of HCV genotype 1b NS5B polymerase infected in human HuH7 replicon ce... | 29422387 |
| RNA-directed RNA polymerase | EC50 | = | 51.0 | nM | 7.29 | Inhibition of HCV genotype 4a NS5B polymerase infected in human HuH7 replicon ce... | 29422387 |
| RNA-directed RNA polymerase | EC50 | = | 70.0 | nM | 7.16 | Inhibition of HCV genotype 3a NS5B polymerase infected in human HuH7 replicon ce... | 29422387 |
| RNA-directed RNA polymerase | EC50 | = | 134.0 | nM | 6.87 | Inhibition of HCV genotype 2a NS5B polymerase infected in human HuH7 replicon ce... | 29422387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29422387 | 10.1016/j.bmcl.2018.01.029 | RNA-directed RNA polymerase | 4 |
| 29422387 | 10.1016/j.bmcl.2018.01.029 | Nonstructural protein 5A | 1 |
Data from ChEMBL 36 via Core Engine