Compound Detail
CHEMBL4082149
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Basic Information
| ChEMBL ID | CHEMBL4082149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGRDLTIHXNNFMI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
4.63
ALogP
3
HBA
2
HBD
71.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.23
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.23 | 6.23 | 590.0 | 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 | = | 590.0 | nM | 6.23 | Antiviral activity against HCV genotype 1b infected in human HuH7 cells after 3 ... | 28430437 |
| Unchecked | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of HCV genotype 1b NS5B replicase expressed in Escherichia coli BL21(... | 28430437 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28430437 | 10.1021/acs.jmedchem.7b00328 | Unchecked | 2 |
| 28430437 | 10.1021/acs.jmedchem.7b00328 | Hepatitis C virus | 2 |
Data from ChEMBL 36 via Core Engine