Compound Detail
CHEMBL3589892
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Basic Information
| ChEMBL ID | CHEMBL3589892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIFLLTOFIQIMEY-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
330.6
MW (Da)
3.65
ALogP
3
HBA
2
HBD
68.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha CHEMBL4187 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
| Sodium channel protein type 3 subunit alpha CHEMBL5163 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
| Sodium channel protein type 10 subunit alpha CHEMBL5451 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 2 subunit alpha | IC50 | = | 6900.0 | nM | 5.16 | Inhibition of human Nav1.2 expressed in SHSY5Y cells assessed as reduction in bl... | 26101568 |
| Sodium channel protein type 3 subunit alpha | IC50 | = | 6900.0 | nM | 5.16 | Inhibition of human Nav1.3 expressed in SHSY5Y cells assessed as reduction in bl... | 26101568 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 6900.0 | nM | 5.16 | Inhibition of human Nav1.7 expressed in SHSY5Y cells assessed as reduction in bl... | 26101568 |
| Sodium channel protein type 10 subunit alpha | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of human Nav1.8 expressed in HEK293 cells assessed as reduction in bl... | 26101568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26101568 | 10.1021/acsmedchemlett.5b00059 | Sodium channel protein type 10 subunit alpha | 1 |
| 26101568 | 10.1021/acsmedchemlett.5b00059 | Sodium channel protein type 2 subunit alpha | 1 |
| 26101568 | 10.1021/acsmedchemlett.5b00059 | Sodium channel protein type 3 subunit alpha | 1 |
| 26101568 | 10.1021/acsmedchemlett.5b00059 | Sodium channel protein type 9 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine