Compound Detail
CHEMBL1085894
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NC(=O)/C=C/c1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3cc(F)ccc3n(CCC3CC3)c1=O)N2
Basic Information
| ChEMBL ID | CHEMBL1085894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLZKCYBREGQBPD-XBXARRHUSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
496.5
MW (Da)
2.71
ALogP
7
HBA
3
HBD
143.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 7.41 | 6.1367 | 39.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 39.0 | nM | 7.41 | Antiviral activity against HCV 1b after 72 hrs by replicon assay | 19515564 |
| Hepatitis C virus | IC50 | = | 202.0 | nM | 6.7 | Inhibition of HCV1b Cdelta-21-truncated NS5B by enzymatic assay | 19515564 |
| Hepatitis C virus | IC50 | = | 50000.0 | nM | 4.3 | Antiviral activity against HCV 1b after 72 hrs by replicon assay in presence of ... | 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