Compound Detail
CHEMBL1084662
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NC(=O)OCc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3cc(F)ccc3n(CCC3CC3)c1=O)N2
Basic Information
| ChEMBL ID | CHEMBL1084662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJJDOHLBYJJWKC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
2.80
ALogP
8
HBA
3
HBD
153.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 7.44 | 7.38 | 36.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 36.0 | nM | 7.44 | Inhibition of HCV1b Cdelta-21-truncated NS5B by enzymatic assay | 19515564 |
| Hepatitis C virus | IC50 | = | 48.0 | nM | 7.32 | Antiviral activity against HCV 1b after 72 hrs by replicon assay | 19515564 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19515564 | 10.1016/j.bmcl.2009.05.091 | Hepatitis C virus | 3 |
Data from ChEMBL 36 via Core Engine