Compound Detail
CHEMBL1673142
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O=C(O)CNc1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL1673142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVCLASLMZPAIBS-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
610.1
MW (Da)
8.30
ALogP
6
HBA
3
HBD
113.7
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.1 | 5.95 | 800.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 800.0 | nM | 6.1 | Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh-M... | 18625766 |
| Hepatitis C virus | EC50 | = | 1100.0 | nM | 5.96 | Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh5-... | 18625766 |
| Hepatitis C virus | EC50 | = | 1200.0 | nM | 5.92 | Antiviral activity against Hepatitis C virus genotype 1b infected in human HuH6 ... | 18625766 |
| Hepatitis C virus | EC50 | = | 1500.0 | nM | 5.82 | Antiviral activity against Hepatitis C virus genotype 1b infected in human Huh-9... | 18625766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18625766 | 10.1128/aac.01534-07 | Hepatitis C virus | 4 |
| 18625766 | 10.1128/aac.01534-07 | ADMET | 4 |
Data from ChEMBL 36 via Core Engine