Compound Detail
CHEMBL3356721
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C=CCCCS(=O)(=O)NC(=O)c1ccccc1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)c(C=C)c1
Basic Information
| ChEMBL ID | CHEMBL3356721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBOQCSAGRGZYDO-OCQXTOTRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
890.1
MW (Da)
9.11
ALogP
10
HBA
4
HBD
191.1
PSA (Ų)
0.05
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 5400.0 | nM | 5.27 | Antiviral activity against HCV genotype 1b infected in human Huh-7 cells by fire... | 25456385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25456385 | 10.1016/j.bmc.2014.10.010 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine