Compound Detail
CHEMBL1087427
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N#CCOc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3cc(F)ccc3n(CCC3CC3)c1=O)N2
Basic Information
| ChEMBL ID | CHEMBL1087427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTKAPNLPOINGIW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
482.5
MW (Da)
3.11
ALogP
8
HBA
2
HBD
133.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 8.1 | 6.86 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 8.0 | nM | 8.1 | Antiviral activity against HCV 1b after 72 hrs by replicon assay | 19515564 |
| Hepatitis C virus | IC50 | = | 2388.0 | nM | 5.62 | 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