Compound Detail
CHEMBL3969795
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Nc1cnc2ccc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)Nc4ncns4)cc3F)cn12
Basic Information
| ChEMBL ID | CHEMBL3969795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASTDCECZQUZRHL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
535.0
MW (Da)
4.96
ALogP
9
HBA
2
HBD
124.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.46 | 8.46 | 3.5 | 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 | = | 3.5 | nM | 8.46 | Electrophysiological Assay (In vitro Assay): Patch voltage clamp electrophysiolo... | - |
Data from ChEMBL 36 via Core Engine