Compound Detail
CHEMBL3947470
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Basic Information
| ChEMBL ID | CHEMBL3947470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPJTYRXEXCJTKB-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.5
MW (Da)
4.28
ALogP
7
HBA
1
HBD
90.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 6.62 | 5.772 | 240.0 | 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 | = | 241.0 | nM | 6.62 | Nav1.7 In Vitro PX Assay: HEK 293 cells stably transfected with human Nav1.7 wer... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 240.0 | nM | 6.62 | Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential yieldi... | 28324649 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 500.0 | nM | 6.3 | Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential yieldi... | 28324649 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 22130.0 | nM | 4.66 | Nav1.7 In Vitro PX Assay: HEK 293 cells stably transfected with human Nav1.7 wer... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential yieldi... | 28324649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28324649 | 10.1021/acs.jmedchem.6b01850 | Sodium channel protein type 9 subunit alpha | 3 |
| 28324649 | 10.1021/acs.jmedchem.6b01850 | Sodium channel protein type 5 subunit alpha | 3 |
Data from ChEMBL 36 via Core Engine