Compound Detail
CHEMBL245763
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O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(N4CCCS4(=O)=O)ccc3N3CCOCC3)cc1F)n2C1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL245763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHZZLNFJWGKFKK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
648.8
MW (Da)
6.00
ALogP
8
HBA
1
HBD
114.2
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.26
IC50 1 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 71.0 | nM | 7.15 | Inhibition of HCV NS5B polymerase | 17383878 |
| Hepatitis C virus | EC50 | = | 550.0 | nM | 6.26 | 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