Compound Detail
CHEMBL37310
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Basic Information
| ChEMBL ID | CHEMBL37310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZOABFIAHQHUTG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
4.24
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2096682 | IC50 | 5.34 | 5.34 | 4600.0 | 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 | = | 4600.0 | nM | 5.34 | Inhibition of [3H]BTX binding to guinea pig voltage-dependent sodium channel | 3016269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3016269 | 10.1021/jm00158a032 | GABA-A receptor; anion channel | 3 |
| 3016269 | 10.1021/jm00158a032 | Mus musculus | 1 |
| 3016269 | 10.1021/jm00158a032 | Sodium channel alpha subunits; brain (Types I, II, III) | 1 |
Data from ChEMBL 36 via Core Engine