Compound Detail
CHEMBL228234
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Basic Information
| ChEMBL ID | CHEMBL228234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDSJNKUAOVDAPF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
322.7
MW (Da)
3.23
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 6.68 | 5.54 | 210.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 210.0 | nM | 6.68 | Inhibition of HCV 1b BK NS5B delta21 RNA polymerase expressed in Escherichia col... | 17402724 |
| Hepatitis C virus | IC50 | = | 40000.0 | nM | 4.4 | Antiviral activity in Huh7 cells containing HCV 1b BB7 replicon | 17402724 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17402724 | 10.1021/jm061428x | Hepatitis C virus | 2 |
| 17402724 | 10.1021/jm061428x | ADMET | 1 |
Data from ChEMBL 36 via Core Engine