Compound Detail
CHEMBL1079699
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Basic Information
| ChEMBL ID | CHEMBL1079699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXFXIBJWAUFCOS-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
515.3
MW (Da)
2.59
ALogP
9
HBA
5
HBD
178.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.22
EC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 7.22 | 6.9775 | 60.0 | 4 |
| Hepatitis C virus CHEMBL379 | EC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 60.0 | nM | 7.22 | Inhibition of wild type HCV con1 Cdelta55 NS5B polymerase | 19800789 |
| Hepatitis C virus | IC50 | = | 70.0 | nM | 7.16 | Inhibition of HCV con1 Cdelta55 NS5B polymerase P156S mutant | 19800789 |
| Hepatitis C virus | IC50 | = | 74.0 | nM | 7.13 | Inhibition of HCV1b Cdelta55 NS5B polymerase | 19800789 |
| Hepatitis C virus | IC50 | = | 400.0 | nM | 6.4 | Inhibition of HCV con1 Cdelta55 NS5B polymerase G152E mutant | 19800789 |
| Hepatitis C virus | EC50 | = | 3400.0 | nM | 5.47 | Antiviral activity against Hepatitis C virus subtype 1b infected in human HuH7 c... | 19800789 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19800789 | 10.1016/j.bmcl.2009.06.106 | Hepatitis C virus | 5 |
Data from ChEMBL 36 via Core Engine