Compound Detail
CHEMBL257261
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c(-c3cccs3)nn(CCC(C)C)c1=O)N2
Basic Information
| ChEMBL ID | CHEMBL257261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDUGRIUDFIWVLZ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
3.29
ALogP
9
HBA
2
HBD
122.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.58
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 4.58 | 4.58 | 26000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1667 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of HCV 1b NS5B polymerase | 18242088 |
| Hepatitis C virus | EC50 | = | 26000.0 | nM | 4.58 | Antiviral activity against HCV 1b in Huh7/C24 cells after 72 hrs by replicon ass... | 18242088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18242088 | 10.1016/j.bmcl.2008.01.007 | Hepatitis C virus | 2 |
| 18242088 | 10.1016/j.bmcl.2008.01.007 | ADMET | 1 |
| 18242088 | 10.1016/j.bmcl.2008.01.007 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine