Compound Detail
CHEMBL3968430
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Basic Information
| ChEMBL ID | CHEMBL3968430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEBUOXBYNAHKFV-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
429.4
MW (Da)
4.25
ALogP
5
HBA
0
HBD
61.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.15
Kd 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.15 | 8.15 | 7.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | Kd | 6.85 | 6.85 | 142.0 | 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 | = | 7.0 | nM | 8.15 | In Vitro Assay: The assay is based on the guanidine influx assay described by Re... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 7.0 | nM | 8.15 | Inhibition of human Nav1.7 expressed in HEK293 cells assessed as reduction in 14... | - |
| Unchecked | IC50 | = | 7.0 | nM | 8.15 | Guanidine Influx Assay: A radiotracer flux assay used to determine ion flux acti... | - |
| Sodium channel protein type 9 subunit alpha | Kd | = | 142.0 | nM | 6.85 | Binding affinity to inactivated state of human Nav1.7 expressed in HEK293 cells ... | - |
Data from ChEMBL 36 via Core Engine