Compound Detail
CHEMBL126628
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Basic Information
| ChEMBL ID | CHEMBL126628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYXHFJOXFGPQCN-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1180453 |
| Active Moiety | CHEMBL1180453 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
4.80
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2096682 | IC50 | 5.38 | 5.38 | 4200.0 | 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) | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on vol... | 2579237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2579237 | 10.1021/jm00381a019 | Sodium channel alpha subunits; brain (Types I, II, III) | 2 |
Data from ChEMBL 36 via Core Engine