Compound Detail
CHEMBL5197040
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O=C1C[C@H](C(=O)NC(c2cnc(C(F)(F)F)c(Cl)c2)c2ccc(F)c(Cl)c2F)CN1
Basic Information
| ChEMBL ID | CHEMBL5197040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLYGMWFKGSHCJD-CYQMCQFNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.2
MW (Da)
4.03
ALogP
3
HBA
2
HBD
71.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha | IC50 | = | 4.2 | nM | 8.38 | Inhibition of human Nav1.8 channel stably expressed in HEK293 cells assessed as ... | 35586433 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35586433 | 10.1021/acsmedchemlett.2c00144 | Sodium channel protein type 8 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine