Compound Detail
CHEMBL506980
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Basic Information
| ChEMBL ID | CHEMBL506980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUXYPEORVCGYKP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
315.3
MW (Da)
3.33
ALogP
3
HBA
2
HBD
74.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.05
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 9000.0 | nM | 5.05 | Antiviral activity against HCV subtype 1a in Huh7 cells assessed as reduction of... | 18801660 |
| Unchecked | IC50 | = | 8900.0 | nM | 5.05 | Inhibition of HCV NS3 helicase activity by fluorimetric assay | 18801660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18801660 | 10.1016/j.bmc.2008.08.074 | Unchecked | 5 |
| 18801660 | 10.1016/j.bmc.2008.08.074 | Nucleic Acid | 1 |
| 18801660 | 10.1016/j.bmc.2008.08.074 | Hepatitis C virus | 1 |
| 18801660 | 10.1016/j.bmc.2008.08.074 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine