Compound Detail
CHEMBL3360469
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COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)[nH]c2cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc23)[nH]1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL3360469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYTHTPSZYYMEOF-CUPIEXAXSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
751.9
MW (Da)
6.19
ALogP
8
HBA
5
HBD
190.4
PSA (Ų)
0.11
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 9.74 | 8.76 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 0.18 | nM | 9.74 | Antiviral activity against HCV genotype 1b infected in human HuH7 cells by lucif... | 25453811 |
| Hepatitis C virus | EC50 | = | 16.5 | nM | 7.78 | Antiviral activity against HCV genotype 1a infected in human HuH7 cells by lucif... | 25453811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25453811 | 10.1016/j.bmcl.2014.10.056 | Hepatitis C virus | 3 |
Data from ChEMBL 36 via Core Engine