Compound Detail
CHEMBL4063673
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CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5nc(C)no5)CC4)ccc3C)cc12
Basic Information
| ChEMBL ID | CHEMBL4063673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXNMPYHLBWTYLY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
524.5
MW (Da)
5.68
ALogP
6
HBA
2
HBD
110.3
PSA (Ų)
0.30
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 9.09 | 9.005 | 0.8 | 2 |
| Unchecked CHEMBL612545 | EC50 | 7.34 | 7.34 | 46.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.4167 | hr | Macaca mulatta |
| T1/2 | 0.1667 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 0.81 | nM | 9.09 | Antiviral activity against HCV genotype 1b infected in human HuH7 cells after 3 ... | 28430437 |
| Hepatitis C virus | EC50 | = | 1.2 | nM | 8.92 | Antiviral activity against HCV genotype 1a infected in human HuH7 cells after 3 ... | 28430437 |
| Unchecked | EC50 | = | 46.0 | nM | 7.34 | 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 |
| 28430437 | 10.1021/acs.jmedchem.7b00328 | ADMET | 1 |
| 28430437 | 10.1021/acs.jmedchem.7b00328 | Liver | 1 |
Data from ChEMBL 36 via Core Engine