Compound Detail
CHEMBL4291266
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CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)s1
Basic Information
| ChEMBL ID | CHEMBL4291266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDJFTSIFVPNUCN-WJFTUGDTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
2.99
ALogP
6
HBA
1
HBD
82.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.91 | 4.91 | 12400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 12400.0 | nM | 4.91 | 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 | Unchecked | 2 |
| 29232582 | 10.1016/j.ejmech.2017.12.002 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine