Compound Detail
CHEMBL257082
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CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3cc(-c4cnoc4)ccc3N2)c1=O
Basic Information
| ChEMBL ID | CHEMBL257082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHMRPYVTTPPDCI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
3.94
ALogP
10
HBA
2
HBD
139.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of HCV 1b NS5B polymerase | 18242088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18242088 | 10.1016/j.bmcl.2008.01.007 | Hepatitis C virus | 1 |
| 18242088 | 10.1016/j.bmcl.2008.01.007 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine