Compound Detail
CHEMBL4556038
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Cn1ccc2c3c(-c4ccoc4)ncnc3n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c21
Basic Information
| ChEMBL ID | CHEMBL4556038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXRGGAVXQMWDRB-XKLVTHTNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
0.79
ALogP
9
HBA
3
HBD
118.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.78 | 4.78 | 16530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 16530.0 | nM | 4.78 | Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh-l... | 30281308 |
Literature References
Data from ChEMBL 36 via Core Engine