Compound Detail
CHEMBL505717
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Cc1ccc(-c2nn(Cc3ccccc3)c(=O)c(C3=CS(=O)(=O)c4cc(N(C)S(C)(=O)=O)ccc4N3)c2O)s1
Basic Information
| ChEMBL ID | CHEMBL505717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPXJDLSBPZLEIQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
584.7
MW (Da)
3.63
ALogP
10
HBA
2
HBD
138.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of HCV 1b BK delta21 NS5B delta21 polymerase | 18662878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18662878 | 10.1016/j.bmcl.2008.07.014 | Hepatitis C virus | 2 |
| 18662878 | 10.1016/j.bmcl.2008.07.014 | ADMET | 1 |
| 18662878 | 10.1016/j.bmcl.2008.07.014 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine