Compound Detail
CHEMBL91929
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Basic Information
| ChEMBL ID | CHEMBL91929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJIPTYIITWBCLK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
2.43
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Ki 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2095171 | Ki | 4.68 | 4.68 | 21000.0 | 1 |
| Sodium channel protein type 2 subunit alpha CHEMBL3399 | IC50 | 4.14 | 4.14 | 72000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel alpha subunits; brain (Types I, II, III) | Ki | = | 21000.0 | nM | 4.68 | Inhibition of [3H]- batrachotoxin binding to sodium channel in rat neocortical m... | 8295214 |
| Sodium channel protein type 2 subunit alpha | IC50 | = | 72000.0 | nM | 4.14 | Inhibition of veratridine-induced Na+ influx in chinese hamster ovary cells expr... | 8295214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8295214 | 10.1021/jm00028a010 | Sodium channel alpha subunits; brain (Types I, II, III) | 1 |
| 8295214 | 10.1021/jm00028a010 | Sodium channel protein type 2 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine