Compound Detail
CHEMBL3360479
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COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3nc4cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)ccc4nc3c2)[nH]1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL3360479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHRGIEASOWLICY-CUPIEXAXSA-N |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
764.9
MW (Da)
5.65
ALogP
10
HBA
4
HBD
200.4
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 10.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 10.43 | 9.6914 | 0.0 | 7 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 0.037 | nM | 10.43 | Antiviral activity against HCV genotype 1b infected in human HuH7 cells by lucif... | 25453811 |
| Hepatitis C virus | EC50 | = | 0.06 | nM | 10.22 | Antiviral activity against HCV genotype 1a assessed as decrease in HCV replicon ... | 27180013 |
| Hepatitis C virus | EC50 | = | 0.06 | nM | 10.22 | Antiviral activity against HCV genotype 1b assessed as decrease in HCV replicon ... | 27180013 |
| Hepatitis C virus | EC50 | = | 0.088 | nM | 10.06 | Antiviral activity against HCV genotype 1a infected in human HuH7 cells by lucif... | 25453811 |
| Hepatitis C virus | EC50 | = | 0.1 | nM | 10.0 | Antiviral activity against HCV genotype 2a assessed as decrease in HCV replicon ... | 27180013 |
| Hepatitis C virus | EC50 | = | 0.2 | nM | 9.7 | Antiviral activity against HCV genotype 3a assessed as decrease in HCV replicon ... | 27180013 |
| Hepatitis C virus | EC50 | = | 61.0 | nM | 7.21 | Antiviral activity against HCV genotype 1a expressing NS5A Y93H mutant assessed ... | 27180013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27180013 | 10.1016/j.bmcl.2016.04.084 | Hepatitis C virus | 5 |
| 25453811 | 10.1016/j.bmcl.2014.10.056 | Hepatitis C virus | 3 |
Data from ChEMBL 36 via Core Engine