Compound Detail
CHEMBL5825041
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CN(c1cc(F)c(S(=O)(=O)N(C(=O)O)c2cscn2)cc1Cl)[C@H]1CCN(Cc2cnn(Cc3ccccc3)c2)C1
Basic Information
| ChEMBL ID | CHEMBL5825041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJBODNYSHANSGV-FQEVSTJZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
605.1
MW (Da)
4.76
ALogP
9
HBA
1
HBD
111.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 5.48 | 5.48 | 3343.0 | 1 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 5.34 | 5.34 | 4608.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.16 | 5.16 | 6967.0 | 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 | = | 3343.0 | nM | 5.48 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 4608.0 | nM | 5.34 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
| Unchecked | IC50 | = | 6967.0 | nM | 5.16 | Sodium Influx Assay (In Vitro Assay): This sodium influx assay employs the use o... | - |
Data from ChEMBL 36 via Core Engine