Compound Detail
CHEMBL51777
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Basic Information
| ChEMBL ID | CHEMBL51777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAFQUPCULBPLGU-ZOERYWIQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
4.34
ALogP
3
HBA
1
HBD
55.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2095171 | IC50 | 5.58 | 5.58 | 2600.0 | 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 | = | 2600.0 | nM | 5.58 | Binding of [3H]batrachotoxin (BTX) to rat brain sodium channel | 10406642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10406642 | 10.1016/s0960-894x(99)00271-1 | Mus musculus | 3 |
| 10406642 | 10.1016/s0960-894x(99)00271-1 | Sodium channel alpha subunits; brain (Types I, II, III) | 2 |
| 10406642 | 10.1016/s0960-894x(99)00271-1 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine