Compound Detail
CHEMBL1784255
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CNC(=O)c1ccc(-c2ccc(C(C)=O)s2)c(COc2ccc(-c3cc(/C=C(\C)C(=O)O)nn3C3CCCCC3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL1784255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVBHRARYLVWQGT-HEHNFIMWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
597.7
MW (Da)
7.41
ALogP
7
HBA
2
HBD
110.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 5.64 | 5.64 | 2290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 2290.0 | nM | 5.64 | Inhibition of Hepatitis C virus subtype 1b NS5B activity assessed as inhibition ... | 21507645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21507645 | 10.1016/j.bmcl.2011.03.086 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine