Compound Detail
CHEMBL4649249
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4649249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPJYJKHMWLBXOZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.23
ALogP
4
HBA
1
HBD
42.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.79 | 5.79 | 1620.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 5.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 1620.0 | nM | 5.79 | Antiviral activity against HCV J6/JFH/JC1 infected in human Huh7.5 cells assesse... | 32378892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32378892 | 10.1021/acs.jmedchem.0c00232 | Hepatitis C virus | 1 |
| 32378892 | 10.1021/acs.jmedchem.0c00232 | Unchecked | 1 |
| 32378892 | 10.1021/acs.jmedchem.0c00232 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine