Compound Detail
CHEMBL467700
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Basic Information
| ChEMBL ID | CHEMBL467700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHNCWTDEMBCLFE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
288.3
MW (Da)
4.76
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha CHEMBL4187 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of human Nav1.2 channel expressed in HEK cells by patch-clamp electro... | 19394229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20943396 | 10.1016/j.bmc.2010.09.029 | Mus musculus | 22 |
| 19394229 | 10.1016/j.bmc.2009.03.067 | Sodium channel protein type 2 subunit alpha | 3 |
| 19394229 | 10.1016/j.bmc.2009.03.067 | No relevant target | 2 |
| 26071857 | 10.1016/j.ejmech.2015.05.048 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine