Compound Detail
CHEMBL175002
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Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4c(c3)nc(-c3ccoc3)n4C3CCCCC3)C(=O)O)c2c1
Basic Information
| ChEMBL ID | CHEMBL175002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDWIFPFPMQECPW-VWLOTQADSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
5.29
ALogP
6
HBA
4
HBD
139.2
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 90.0 | nM | 7.05 | 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 | DNA-directed RNA polymerase subunit beta | 2 |
| 15013003 | 10.1016/j.bmcl.2003.12.032 | RNA-directed RNA polymerase | 1 |
Data from ChEMBL 36 via Core Engine