Compound Detail
CHEMBL93271
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Basic Information
| ChEMBL ID | CHEMBL93271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFADCRNSRNZXOF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.5
MW (Da)
4.15
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2095171 | Ki | 5.16 | 5.16 | 6900.0 | 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 | = | 6900.0 | nM | 5.16 | Inhibition of [3H]- batrachotoxin binding to sodium channel in rat neocortical m... | 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