Compound Detail
CHEMBL175533
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Basic Information
| ChEMBL ID | CHEMBL175533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBXNBVGNXBZXSA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
1.71
ALogP
5
HBA
2
HBD
117.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 4.8 | 4.8 | 16000.0 | 2 |
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 16000.0 | nM | 4.8 | Inhibitory activity against Hepatitis C virus RNA dependent RNA polymerase nonst... | 14695815 |
| Hepatitis C virus | IC50 | = | 16000.0 | nM | 4.8 | Antiviral activity against Hepatitis C virus | 19112024 |
| Hepatitis C virus | IC50 | = | 16000.0 | nM | 4.8 | Antiviral activity against Hepatitis C virus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19112024 | 10.1016/j.bmc.2008.11.075 | Hepatitis C virus | 2 |
| 14695815 | 10.1021/jm0342109 | RNA-directed RNA polymerase | 1 |
Data from ChEMBL 36 via Core Engine