Compound Detail
CHEMBL4555554
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Basic Information
| ChEMBL ID | CHEMBL4555554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGNJLNNHIGBXSV-KOMIRPDLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
3.83
ALogP
7
HBA
0
HBD
72.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 25000.0 | nM | 4.6 | Antiviral activity against HCV JFH-1 infected in human Huh7.5.1 cells assessed a... | 30485098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30485098 | 10.1021/acs.jnatprod.8b00416 | Huh7.5.1 | 1 |
| 30485098 | 10.1021/acs.jnatprod.8b00416 | Hepatitis C virus | 1 |
| 30485098 | 10.1021/acs.jnatprod.8b00416 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine