Compound Detail
CHEMBL4636970
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O=S(=O)(Nc1cccc(F)n1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1-n1ccnn1
Basic Information
| ChEMBL ID | CHEMBL4636970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKJIATXPNOQKCJ-MRXNPFEDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
519.5
MW (Da)
4.54
ALogP
7
HBA
1
HBD
99.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.3 | nM | 9.52 | Rubidium efflux assay: HEK-293 cells overexpressing the channel of interest were... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 1.1 | nM | 8.96 | Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as redu... | 32368909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32368909 | 10.1021/acs.jmedchem.0c00361 | Sodium channel protein type 9 subunit alpha | 1 |
| 32368909 | 10.1021/acs.jmedchem.0c00361 | Sodium channel protein type 5 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine