Compound Detail
CHEMBL3422105
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O=C(N[C@H](Cc1c[nH]c2ccc(O)cc12)c1cscn1)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL3422105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUDPNSAXFSEWCD-AREMUKBSSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
551.7
MW (Da)
7.16
ALogP
7
HBA
3
HBD
109.0
PSA (Ų)
0.20
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.77
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | Inhibition of N-terminally tagged full-length HCV NS5B using biotinylated oligo(... | 25768704 |
| Hepatitis C virus | EC50 | = | 1700.0 | nM | 5.77 | Antiviral activity against HCV infected in human HuH7 cells assessed as inhibiti... | 25768704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25768704 | 10.1016/j.ejmech.2015.03.012 | Unchecked | 1 |
| 25768704 | 10.1016/j.ejmech.2015.03.012 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine