Compound Detail
CHEMBL466587
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Basic Information
| ChEMBL ID | CHEMBL466587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUWHNKZFUTUGJW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
3.75
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha CHEMBL2752 | IC50 | 4.71 | 4.71 | 19600.0 | 1 |
| Sodium channel protein type 2 subunit alpha CHEMBL4187 | IC50 | 4.67 | 4.67 | 21400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 8 subunit alpha | IC50 | = | 19600.0 | nM | 4.71 | Inhibition of rat NaV1.6-mediated current expressed in human HEK293 cells by pat... | 22981330 |
| Sodium channel protein type 2 subunit alpha | IC50 | = | 21400.0 | nM | 4.67 | Inhibition of human NaV1.2 expressed in HEK cells at -60 mV holding potential by... | 20943396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20943396 | 10.1016/j.bmc.2010.09.029 | Mus musculus | 35 |
| - | 10.1007/s00044-011-9869-9 | Mus musculus | 24 |
| 20943396 | 10.1016/j.bmc.2010.09.029 | Rattus norvegicus | 6 |
| 19394229 | 10.1016/j.bmc.2009.03.067 | No relevant target | 2 |
| 19394229 | 10.1016/j.bmc.2009.03.067 | Sodium channel protein type 2 subunit alpha | 2 |
| 20943396 | 10.1016/j.bmc.2010.09.029 | Sodium channel protein type 2 subunit alpha | 2 |
| 22981330 | 10.1016/j.bmcl.2012.08.067 | Sodium channel protein type 8 subunit alpha | 2 |
| 22981330 | 10.1016/j.bmcl.2012.08.067 | Sodium channel protein type 2 subunit alpha | 1 |
| 26071857 | 10.1016/j.ejmech.2015.05.048 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine