Compound Detail
CHEMBL110021
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Basic Information
| ChEMBL ID | CHEMBL110021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWZGQDOSIVDCEJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
256.2
MW (Da)
0.70
ALogP
7
HBA
1
HBD
103.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 4000.0 | nM | 5.4 | Inhibitory potency of compound in presence of Mn2+ ion against NS5B HCV polymera... | 15149686 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149686 | 10.1016/j.bmcl.2004.03.087 | RNA-directed RNA polymerase | 3 |
| 15149686 | 10.1016/j.bmcl.2004.03.087 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine