Compound Detail
CHEMBL4290679
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N#Cc1ccc(S(=O)(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1
Basic Information
| ChEMBL ID | CHEMBL4290679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGOORTAQXZLZTC-YVNJGZBMSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.14
ALogP
4
HBA
0
HBD
64.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.47 | 5.47 | 3400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 306.11 | ng.hr.mL-1 | Mus musculus |
| Cmax | 410.0 | nM | Mus musculus |
| MRT | 1.82 | hr | Mus musculus |
| T1/2 | 1.97 | hr | Mus musculus |
| Tmax | 0.33 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 3400.0 | nM | 5.47 | Antiviral activity against HCV J6/JFH/JC-1 infected in human Huh7.5 cells assess... | 29232582 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29232582 | 10.1016/j.ejmech.2017.12.002 | Mus musculus | 5 |
| 29232582 | 10.1016/j.ejmech.2017.12.002 | Unchecked | 2 |
| 29232582 | 10.1016/j.ejmech.2017.12.002 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine