Compound Detail
CHEMBL368163
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Cc1[nH]c2ccc(O)cc2c1C[C@H](NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL368163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUNAANIBEXOPDO-SANMLTNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
526.6
MW (Da)
5.72
ALogP
6
HBA
4
HBD
133.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 460.0 | nM | 6.34 | Concentration required for inhibiting hepatitis C virus NS5B RNA polymerase acti... | 15013003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15013003 | 10.1016/j.bmcl.2003.12.032 | RNA-directed RNA polymerase | 1 |
Data from ChEMBL 36 via Core Engine