Compound Detail
CHEMBL3946981
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Basic Information
| ChEMBL ID | CHEMBL3946981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMJTXCWXJHEVRZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
3.96
ALogP
5
HBA
1
HBD
73.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 10 subunit alpha CHEMBL5451 | IC50 | 6.11 | 6.11 | 774.0 | 1 |
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 5.35 | 5.35 | 4430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 10 subunit alpha | IC50 | = | 774.0 | nM | 6.11 | FRET-Based Membrane Potential Assay: Two days prior to the experiment, frozen HE... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 4430.0 | nM | 5.35 | FRET-Based Membrane Potential Assay: Two days prior to the experiment, frozen HE... | - |
Data from ChEMBL 36 via Core Engine