Compound Detail
CHEMBL3094386
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Basic Information
| ChEMBL ID | CHEMBL3094386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYOBPISPXIUKPV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
363.3
MW (Da)
4.25
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 4100.0 | nM | 5.39 | Inhibition of HCV RNA replication in human Li23 cells (ORL8 system) by renilla l... | 25086684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24239186 | 10.1016/j.bmcl.2013.10.054 | Nuclear receptor ROR-gamma | 2 |
| 25086684 | 10.1016/j.bmcl.2014.07.019 | Hepatitis C virus | 1 |
| 25086684 | 10.1016/j.bmcl.2014.07.019 | ADMET | 1 |
| 25086684 | 10.1016/j.bmcl.2014.07.019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine