Compound Detail
CHEMBL1077125
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CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(CC#N)ccc3N2)c(O)c2cc(F)ccc21
Basic Information
| ChEMBL ID | CHEMBL1077125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLLLFWUEOOAYRC-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
3.52
ALogP
7
HBA
2
HBD
124.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 8.3 | 6.98 | 5.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 5.0 | nM | 8.3 | Inhibition of HCV1b Cdelta-21-truncated NS5B by enzymatic assay | 19515564 |
| Hepatitis C virus | IC50 | = | 29.0 | nM | 7.54 | Antiviral activity against HCV 1b after 72 hrs by replicon assay | 19515564 |
| Hepatitis C virus | IC50 | = | 8000.0 | nM | 5.1 | 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