Compound Detail
CHEMBL5280425
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Basic Information
| ChEMBL ID | CHEMBL5280425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNBLZRUMMGYSLS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
2.77
ALogP
4
HBA
1
HBD
68.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha/beta-1/beta-2 CHEMBL4630765 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Sodium channel protein type 9 subunit alpha/beta-1/beta-2 CHEMBL4630766 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Sodium channel protein type 1 subunit alpha/beta-1/beta-2 CHEMBL4630760 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Sodium channel protein type 5 subunit alpha/beta-1/beta-2 CHEMBL4630763 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.002 | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha/beta-1/beta-2 | IC50 | = | 38.0 | nM | 7.42 | Inhibition of human Nav1.7/beta1/2 transfected in HEK293-A cells assessed as inh... | 37312847 |
| Sodium channel protein type 9 subunit alpha/beta-1/beta-2 | IC50 | = | 900.0 | nM | 6.05 | Inhibition of mouse Nav1.7/beta1/2 transfected in HEK293-A cells assessed as inh... | 37312847 |
| Sodium channel protein type 1 subunit alpha/beta-1/beta-2 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of human Nav1.1/beta1/2 transfected in HEK293-A cells assessed as inh... | 37312847 |
| Sodium channel protein type 5 subunit alpha/beta-1/beta-2 | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of human Nav1.5/beta1/2 transfected in HEK293-A cells assessed as inh... | 37312847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37312847 | 10.1021/acsmedchemlett.3c00079 | Sodium channel protein type 9 subunit alpha/beta-1/beta-2 | 2 |
| 37312847 | 10.1021/acsmedchemlett.3c00079 | No relevant target | 2 |
| 37312847 | 10.1021/acsmedchemlett.3c00079 | Sodium channel protein type 1 subunit alpha/beta-1/beta-2 | 1 |
| 37312847 | 10.1021/acsmedchemlett.3c00079 | Sodium channel protein type 5 subunit alpha/beta-1/beta-2 | 1 |
| 37312847 | 10.1021/acsmedchemlett.3c00079 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 37312847 | 10.1021/acsmedchemlett.3c00079 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine