Compound Detail
CHEMBL5774305
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CN(c1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl)[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)C1
Basic Information
| ChEMBL ID | CHEMBL5774305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSMGQIYCOMFQNZ-INIZCTEOSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
549.0
MW (Da)
5.47
ALogP
6
HBA
1
HBD
65.5
PSA (Ų)
0.40
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 5.75 | 5.75 | 1792.0 | 2 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 5.53 | 5.53 | 2942.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.53 | 5.35 | 2942.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha | IC50 | = | 1792.0 | nM | 5.75 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 1792.0 | nM | 5.75 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 2942.0 | nM | 5.53 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Unchecked | IC50 | = | 2942.0 | nM | 5.53 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
| Unchecked | IC50 | = | 5536.0 | nM | 5.26 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Unchecked | IC50 | = | 5536.0 | nM | 5.26 | In Vitro Assay: In general, Trex HEK293 cells were stably transfected with an in... | - |
Data from ChEMBL 36 via Core Engine