Compound Detail
CHEMBL3912540
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O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccc3[nH]c(C(F)(F)F)nc3c2)cc1F
Basic Information
| ChEMBL ID | CHEMBL3912540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPQQHQIVXCDLNR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
587.9
MW (Da)
6.62
ALogP
7
HBA
2
HBD
109.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 1.4 | nM | 8.85 | Electrophysiological Assay (In vitro Assay): Patch voltage clamp electrophysiolo... | - |
Data from ChEMBL 36 via Core Engine