Compound Detail
CHEMBL594592
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CC(NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)Nc1ccc(-c2ccc(C(=O)O)o2)cc1
Basic Information
| ChEMBL ID | CHEMBL594592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKHSJJZUMHKTGD-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
566.6
MW (Da)
6.52
ALogP
7
HBA
3
HBD
139.6
PSA (Ų)
0.19
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.55
IC50 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 450.0 | nM | 6.35 | Inhibition of N-terminal hexahistidine tagged HCV 1b NS5B polymerase expressed i... | 19945870 |
| Hepatitis C virus | EC50 | = | 28000.0 | nM | 4.55 | Antiviral activity against Hepatitis C virus subtype 1b by cell-based replicon a... | 19945870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19945870 | 10.1016/j.bmcl.2009.10.136 | Hepatitis C virus | 2 |
Data from ChEMBL 36 via Core Engine