Compound Detail
CHEMBL5764733
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Cc1cc(S(=O)(=O)Nc2cscn2)c(F)cc1N(C)[C@H]1CCN([C@H]2C[C@H](c3ccccc3)C2)C1
Basic Information
| ChEMBL ID | CHEMBL5764733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTHPLXSKXVTVMI-ACRUOGEOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
500.7
MW (Da)
4.85
ALogP
6
HBA
1
HBD
65.5
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 5.84 | 5.84 | 1445.0 | 1 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 5.64 | 5.64 | 2263.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.51 | 5.51 | 3089.0 | 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 | = | 1445.0 | nM | 5.84 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 2263.0 | nM | 5.64 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Unchecked | IC50 | = | 3089.0 | nM | 5.51 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
Data from ChEMBL 36 via Core Engine