Compound Detail
CHEMBL4850942
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O=S(=O)(Nc1ccccn1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccccc2)cc1F
Basic Information
| ChEMBL ID | CHEMBL4850942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROORXZLBXUUPAD-XLIONFOSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
527.5
MW (Da)
4.96
ALogP
5
HBA
1
HBD
71.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 5.37 | 5.37 | 4320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 5 subunit alpha | IC50 | = | 4320.0 | nM | 5.37 | Inhibition of human Nav1.5 by automated voltage clamp electrophysiology | 34044121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34044121 | 10.1016/j.bmcl.2021.128133 | Sodium channel protein type 5 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine