Compound Detail
CHEMBL1814457
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Basic Information
| ChEMBL ID | CHEMBL1814457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIBVZQXTRNBGSZ-OCKHKDLRSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
4.47
ALogP
5
HBA
2
HBD
71.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.66
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 2200.0 | nM | 5.66 | Antiviral activity against HCV | 30639895 |
| Unchecked | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of HCV genotype 1b J4 N-terminal His-tagged NS5Bdelta21 polymerase ex... | 21699179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21699179 | 10.1021/jm200242p | Unchecked | 2 |
| 21699179 | 10.1021/jm200242p | Huh-7 | 1 |
| 21699179 | 10.1021/jm200242p | HEK293 | 1 |
| 30639895 | 10.1016/j.ejmech.2018.12.045 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine