Compound Detail
CHEMBL380801
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Basic Information
| ChEMBL ID | CHEMBL380801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYYXWZGTKBKMBL-DHDCSXOGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.1
MW (Da)
4.36
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 32000.0 | nM | 4.5 | Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as rad... | 16190757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16190757 | 10.1021/jm0504454 | RNA-directed RNA polymerase | 1 |
Data from ChEMBL 36 via Core Engine