Compound Detail
CHEMBL2069450
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Basic Information
| ChEMBL ID | CHEMBL2069450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSARUDWNQVREDI-JDTTZNEISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
334.3
MW (Da)
0.86
ALogP
8
HBA
3
HBD
119.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.92 | 4.86 | 12050.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 12050.0 | nM | 4.92 | Antiviral activity against Hepatitis C virus subtype 1b replicons infected in hu... | 22877872 |
| Hepatitis C virus | EC50 | = | 15700.0 | nM | 4.8 | Antiviral activity against Hepatitis C virus subtype 1a replicons infected in hu... | 22877872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22877872 | 10.1016/j.bmc.2012.07.003 | Unchecked | 3 |
| 22877872 | 10.1016/j.bmc.2012.07.003 | Hepatitis C virus | 2 |
| 22877872 | 10.1016/j.bmc.2012.07.003 | DU-145 | 1 |
| 22877872 | 10.1016/j.bmc.2012.07.003 | HCT-116 | 1 |
| 22877872 | 10.1016/j.bmc.2012.07.003 | NCI-H23 | 1 |
| 22877872 | 10.1016/j.bmc.2012.07.003 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine