Compound Detail
CHEMBL4462085
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Basic Information
| ChEMBL ID | CHEMBL4462085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVIUFNMEIARVCL-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
450.4
MW (Da)
4.44
ALogP
4
HBA
1
HBD
68.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 6.09 | 6.09 | 810.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.97 | 5.55 | 1080.0 | 2 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 5.12 | 5.12 | 7500.0 | 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 | = | 810.0 | nM | 6.09 | Inhibition of human Nav1.7 expressed in HEK293 cells after 600 secs at -60 mV ho... | 30576602 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 812.0 | nM | 6.09 | Automated Electrophysiology (Barra): Ion Works Barracuda population patch clamp ... | - |
| Unchecked | IC50 | = | 1080.0 | nM | 5.97 | Ligand Binding Assay (LBA): hNaV1.7 binding affinities were determined with a fi... | - |
| Unchecked | IC50 | = | 7477.0 | nM | 5.13 | Automated Electrophysiology (Barra): Ion Works Barracuda population patch clamp ... | - |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of human Nav1.5 expressed in HEK293 cells after 600 secs at -50 mV ho... | 30576602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30576602 | 10.1021/acs.jmedchem.8b01550 | Sodium channel protein type 9 subunit alpha | 1 |
| 30576602 | 10.1021/acs.jmedchem.8b01550 | Sodium channel protein type 5 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine