Compound Detail
CHEMBL4080649
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CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccc5)CC4)ccc3Cl)cc12
Basic Information
| ChEMBL ID | CHEMBL4080649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZXHPARIZLVKDD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
539.0
MW (Da)
7.34
ALogP
3
HBA
2
HBD
71.3
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 8.6 | 8.405 | 2.5 | 2 |
| Unchecked CHEMBL612545 | EC50 | 7.2 | 7.2 | 63.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 2.5 | nM | 8.6 | Antiviral activity against HCV genotype 1b infected in human HuH7 cells after 3 ... | 28430437 |
| Hepatitis C virus | EC50 | = | 6.2 | nM | 8.21 | Antiviral activity against HCV genotype 1a infected in human HuH7 cells after 3 ... | 28430437 |
| Unchecked | EC50 | = | 63.0 | nM | 7.2 | Inhibition of HCV genotype 1b NS5B replicase C316N mutant infected in human HuH7... | 28430437 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28430437 | 10.1021/acs.jmedchem.7b00328 | Hepatitis C virus | 2 |
| 28430437 | 10.1021/acs.jmedchem.7b00328 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine