Compound Detail
CHEMBL3662081
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Basic Information
| ChEMBL ID | CHEMBL3662081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFMOIJVBLHFGHB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
3.88
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.7 | 8.55 | 2.0 | 2 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 2.0 | nM | 8.7 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 4.0 | nM | 8.4 | Radioligand Binding Assay: Radioligand Binding Studies: Saturation experiments. ... | - |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 90.0 | nM | 7.05 | Electrophysiological Assay: Patch voltage clamp electrophysiology allows for the... | - |
Data from ChEMBL 36 via Core Engine