Compound Detail
CHEMBL1940774
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Basic Information
| ChEMBL ID | CHEMBL1940774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFIQAGIXMXTUIM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
247.7
MW (Da)
3.30
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 3800.0 | nM | 5.42 | Antiviral activity against HCV genotype 1b infected in Ava5 cells assessed as in... | 22059983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22059983 | 10.1021/jm201264t | Hepatitis C virus | 2 |
| 22059983 | 10.1021/jm201264t | Unchecked | 1 |
| 22059983 | 10.1021/jm201264t | ADMET | 1 |
Data from ChEMBL 36 via Core Engine