Compound Detail
CHEMBL246974
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COCC(=O)N(C)c1ccc(N2CCOCC2)c(COc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)c(F)c2)c1
Basic Information
| ChEMBL ID | CHEMBL246974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COXXOVDZYPMOTJ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
630.7
MW (Da)
6.07
ALogP
8
HBA
1
HBD
106.4
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.92
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.0 | 7.0 | 99.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 99.0 | nM | 7.0 | Inhibition of HCV NS5B polymerase | 17383878 |
| Hepatitis C virus | EC50 | = | 1200.0 | nM | 5.92 | Antiviral activity against HCV in Huh-5-2 cells by replicon assay | 17383878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17383878 | 10.1016/j.bmcl.2007.03.027 | Unchecked | 2 |
| 17383878 | 10.1016/j.bmcl.2007.03.027 | Hepatitis C virus | 1 |
| 17383878 | 10.1016/j.bmcl.2007.03.027 | Huh-5-2 | 1 |
Data from ChEMBL 36 via Core Engine