Compound Detail
CHEMBL2031679
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Basic Information
| ChEMBL ID | CHEMBL2031679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJKXJTJGCHFNFF-FHZUQPTBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
-2.46
ALogP
9
HBA
5
HBD
159.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | IC50 | = | 190.0 | nM | 6.72 | Inhibition of HCV genotype 1b NS5B after 90 mins | 22578461 |
| Unchecked | IC50 | = | 310.0 | nM | 6.51 | Inhibition of N-terminal His6-tagged Hepatitis C virus genotype 1b isolate Con1 ... | 24944743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22578461 | 10.1016/j.bmcl.2012.04.065 | Hepatitis C virus | 2 |
| 22578461 | 10.1016/j.bmcl.2012.04.065 | Huh-7 | 1 |
| 24944743 | 10.1021/ml500077j | Hepatitis C virus | 1 |
| 24944743 | 10.1021/ml500077j | ADMET | 1 |
| 24944743 | 10.1021/ml500077j | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine