Compound Detail
CHEMBL396828
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 | CHEMBL396828 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDVRUUXCQYAGJW-IVZWLZJFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.8
MW (Da)
1.47
ALogP
8
HBA
1
HBD
99.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.52 | 4.52 | 30300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 30300.0 | nM | 4.52 | Inhibition of HCV replication in Huh7 cells after 48 hrs by luciferase assay | 17766124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17766124 | 10.1016/j.bmc.2007.08.025 | Hepatitis C virus | 1 |
| 17766124 | 10.1016/j.bmc.2007.08.025 | ADMET | 1 |
| 17766124 | 10.1016/j.bmc.2007.08.025 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine