Compound Detail
CHEMBL3121854
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COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)Cc2cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc2-3)[nH]1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL3121854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBHLRIOHKNONHU-BBACVFHCSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
750.9
MW (Da)
6.13
ALogP
8
HBA
4
HBD
174.6
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 10.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 10.89 | 9.864 | 0.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 0.013 | nM | 10.89 | Antiviral activity against HCV genotype 1b Con1 infected in human HuH7 cells ass... | 24320933 |
| Hepatitis C virus | EC50 | = | 0.042 | nM | 10.38 | Antiviral activity against HCV genotype 1b infected in human HuH7 cells by lucif... | 25453811 |
| Hepatitis C virus | EC50 | = | 0.094 | nM | 10.03 | Antiviral activity against HCV genotype 1a H77 infected in human HuH7 cells asse... | 24320933 |
| Hepatitis C virus | EC50 | = | 0.25 | nM | 9.6 | Antiviral activity against HCV genotype 1a infected in human HuH7 cells by lucif... | 25453811 |
| Hepatitis C virus | EC50 | = | 3.8 | nM | 8.42 | Antiviral activity against HCV genotype 3a 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 |
| 24320933 | 10.1021/jm401499g | Hepatitis C virus | 2 |
Data from ChEMBL 36 via Core Engine