Compound Detail
CHEMBL2347324
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COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(Cl)c(-c2ccc(N=[N+]=[N-])cc2)[nH]1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL2347324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBBLKNKZNNFAET-GJZGRUSLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
445.9
MW (Da)
4.72
ALogP
5
HBA
2
HBD
136.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 4.0 | nM | 8.4 | Antiviral activity against HCV 1b infected in human HuH7 cells by in vitro repli... | 23466233 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23466233 | 10.1016/j.bmcl.2013.02.023 | Hepatitis C virus | 2 |
| 23466233 | 10.1016/j.bmcl.2013.02.023 | Huh-7 | 1 |
| 23466233 | 10.1016/j.bmcl.2013.02.023 | CCRF-CEM | 1 |
| 23466233 | 10.1016/j.bmcl.2013.02.023 | Vero | 1 |
| 23466233 | 10.1016/j.bmcl.2013.02.023 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine