Compound Detail
CHEMBL5847004
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Cc1cc(S(=O)(=O)Nc2cscn2)c(F)cc1N(C)[C@H]1CCN(Cc2ccn(CC(F)(F)F)n2)C1
Basic Information
| ChEMBL ID | CHEMBL5847004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZUZFHXWPYKMFC-INIZCTEOSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
3.86
ALogP
8
HBA
1
HBD
83.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 7.24 | 7.24 | 58.0 | 2 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 4.89 | 4.89 | 12860.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.89 | 4.89 | 12860.0 | 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 | = | 58.0 | nM | 7.24 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 58.0 | nM | 7.24 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 12860.0 | nM | 4.89 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Unchecked | IC50 | = | 12860.0 | nM | 4.89 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
Data from ChEMBL 36 via Core Engine