Compound Detail
CHEMBL387671
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Basic Information
| ChEMBL ID | CHEMBL387671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQQLXARPNNPHPC-FGZHOGPDSA-N |
4
Targets
4
Activities
1
Assay Types
3
PK Parameters
7
Publications
0
Known Names
Molecular Properties
339.5
MW (Da)
4.04
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 CHEMBL4306 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Potassium voltage-gated channel subfamily B member 1 CHEMBL1075226 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| A-type voltage-gated potassium channel KCND2 CHEMBL1075227 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 50.1 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 4.0 | % | Rattus norvegicus |
| T1/2 | 6.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of human potassium channel Kv1.5 by patch-clamp method | 17506538 |
| Potassium voltage-gated channel subfamily B member 1 | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of rat potassium channel Kv2.1 by patch-clamp method | 17506538 |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of human heart sodium channel Nav1.5 by patch-clamp method | 17506538 |
| A-type voltage-gated potassium channel KCND2 | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of rat potassium channel Kv4.2 by patch-clamp method | 17506538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17506538 | 10.1021/jm0604528 | Rattus norvegicus | 12 |
| 17506538 | 10.1021/jm0604528 | Canis familiaris | 4 |
| 17506538 | 10.1021/jm0604528 | Mus musculus | 1 |
| 17506538 | 10.1021/jm0604528 | Sodium channel protein type 5 subunit alpha | 1 |
| 17506538 | 10.1021/jm0604528 | Potassium voltage-gated channel subfamily A member 5 | 1 |
| 17506538 | 10.1021/jm0604528 | A-type voltage-gated potassium channel KCND2 | 1 |
| 17506538 | 10.1021/jm0604528 | Potassium voltage-gated channel subfamily B member 1 | 1 |
Data from ChEMBL 36 via Core Engine