Compound Detail
CHEMBL5942568
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CN(c1cc(F)c(S(=O)(=O)Nc2cscn2)c(F)c1Cl)[C@H]1CCN(Cc2ccccc2)C1
Basic Information
| ChEMBL ID | CHEMBL5942568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDBCNDYXFRQBOP-HNNXBMFYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
499.0
MW (Da)
4.59
ALogP
6
HBA
1
HBD
65.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 6.82 | 6.485 | 152.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha | IC50 | = | 152.0 | nM | 6.82 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 703.0 | nM | 6.15 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
Data from ChEMBL 36 via Core Engine