Compound Detail
CHEMBL3634326
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Basic Information
| ChEMBL ID | CHEMBL3634326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNRBEHWLAFGHPH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
3.55
ALogP
6
HBA
1
HBD
79.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Sodium channel protein type 9 subunit alpha CHEMBL3414411 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Sodium channel protein type 1 subunit alpha CHEMBL1845 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 5.28 | 5.28 | 5200.0 | 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 | = | 1100.0 | nM | 5.96 | Inhibition of human NaV1.7 by IonWorks quattro automated electrophysiology assay | 26358159 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of mouse NaV1.7 by IonWorks quattro automated electrophysiology assay | 26358159 |
| Sodium channel protein type 1 subunit alpha | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay | 26358159 |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of human NaV1.5 by IonWorks quattro automated electrophysiology assay | 26358159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26358159 | 10.1016/j.bmcl.2015.09.005 | Sodium channel protein type 9 subunit alpha | 2 |
| 26358159 | 10.1016/j.bmcl.2015.09.005 | Sodium channel protein type 1 subunit alpha | 1 |
| 26358159 | 10.1016/j.bmcl.2015.09.005 | Sodium channel protein type 5 subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine