Compound Detail
CHEMBL498308
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Basic Information
| ChEMBL ID | CHEMBL498308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFCBLGLYMIRSDK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
4.23
ALogP
8
HBA
2
HBD
101.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 13.0 | % | Macaca fascicularis |
| T1/2 | 0.6167 | hr | Macaca mulatta |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 12000.0 | nM | 4.92 | 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 | 1 |
| 18662878 | 10.1016/j.bmcl.2008.07.014 | ADMET | 1 |
| 18662878 | 10.1016/j.bmcl.2008.07.014 | Caco-2 | 1 |
| 18662878 | 10.1016/j.bmcl.2008.07.014 | Cynomolgus monkey | 1 |
Data from ChEMBL 36 via Core Engine