Compound Detail
CHEMBL3658006
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Basic Information
| ChEMBL ID | CHEMBL3658006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXRXQBRXBNTWPW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
3.61
ALogP
5
HBA
1
HBD
81.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 7.12 | 6.88 | 75.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 75.0 | nM | 7.12 | Inhibition of human Nav1.7 alpha subunit expressed in HEK293 cells co-expressing... | 30499663 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 100.0 | nM | 7.0 | Radioligand Binding Assay: Radioligand Binding Studies: Saturation experiments. ... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 304.0 | nM | 6.52 | 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