Compound Detail
CHEMBL3654180
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Basic Information
| ChEMBL ID | CHEMBL3654180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEFVIYQUYHNRDX-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
3.25
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 7.7 | 7.16 | 20.1 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 20.1 | nM | 7.7 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 20.1 | nM | 7.7 | Electrophysiological Assay (In Vitro Assay): The following patch voltage clamp e... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 41.0 | nM | 7.39 | Inhibition of human Nav1.7 alpha subunit expressed in HEK293 cells co-expressing... | 30499663 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 150.0 | nM | 6.82 | Radioligand Binding Assay: Radioligand Binding Studies: Saturation experiments. ... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 640.0 | nM | 6.19 | Displacement of [3H]GX-545 from human Nav1.7 alpha subunit expressed in HEK293 c... | 30499663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30499663 | 10.1021/acs.jmedchem.8b01621 | Sodium channel protein type 9 subunit alpha | 2 |
Data from ChEMBL 36 via Core Engine