Compound Detail
CHEMBL4864812
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=S(=O)(Nc1cccc(F)n1)c1cc(F)c(O[C@H]2CCN(CC(F)(F)F)C[C@@H]2c2ccc(F)c(F)c2)c(F)c1F
Basic Information
| ChEMBL ID | CHEMBL4864812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTGXEGKPWGOXLL-DYVFJYSZSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
599.5
MW (Da)
5.52
ALogP
5
HBA
1
HBD
71.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 65.0 | mL.min-1.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 5 subunit alpha | IC50 | = | 31.0 | nM | 7.51 | 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 | ADMET | 2 |
| 34044121 | 10.1016/j.bmcl.2021.128133 | Sodium channel protein type 5 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine