Compound Detail
CHEMBL563101
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CCCCCCCCCCCCOC(=O)[C@@H](C)NP(=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O)Oc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL563101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCQSIOPVNIHWDI-LZCNVOQRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
679.7
MW (Da)
4.73
ALogP
13
HBA
4
HBD
233.2
PSA (Ų)
0.04
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 30000.0 | nM | 4.52 | 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 | 1 |
Data from ChEMBL 36 via Core Engine