Compound Detail
CHEMBL539443
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C[C@H](NP(=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)Oc1cccc2ccccc12)C(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL539443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVYFQSCHWLAFQK-IDBLTNLBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
651.6
MW (Da)
3.16
ALogP
13
HBA
4
HBD
233.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.02 | 5.97 | 950.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 950.0 | nM | 6.02 | Antiviral activity against HCV Con1 GT1b by replicon assay | 19505826 |
| Hepatitis C virus | EC50 | = | 1200.0 | nM | 5.92 | Antiviral activity against HCV Con1 GT1b by replicon assay | 19505826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19505826 | 10.1016/j.bmcl.2009.05.099 | Hepatitis C virus | 2 |
Data from ChEMBL 36 via Core Engine