Compound Detail
CHEMBL3752686
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Basic Information
| ChEMBL ID | CHEMBL3752686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWVROWYWWUNAGI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
4.06
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.55
Kd 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.16 | 5.16 | 6900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 2800.0 | nM | 5.55 | Antiviral activity against HCV genotype 1b infected in human Huh7 cells assessed... | 26241789 |
| Unchecked | Kd | = | 6900.0 | nM | 5.16 | Binding affinity to HCV NS4B protease by fluorescence assay | 26241789 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26241789 | 10.1021/acs.jmedchem.5b00825 | Hepatitis C virus | 1 |
| 26241789 | 10.1021/acs.jmedchem.5b00825 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine