Compound Detail
CHEMBL382154
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Basic Information
| ChEMBL ID | CHEMBL382154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPURAGOSIHFKPV-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
346.8
MW (Da)
4.58
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 3 CHEMBL4818 | EC50 | 6.32 | 6.32 | 480.0 | 1 |
| Potassium voltage-gated channel subfamily A member 5 CHEMBL4306 | EC50 | 6.16 | 6.16 | 700.0 | 1 |
| Potassium voltage-gated channel subfamily A member 1 CHEMBL2309 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Potassium voltage-gated channel subfamily A member 2 CHEMBL2086 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
| T-cell CHEMBL614309 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Potassium voltage-gated channel subfamily A member 4 CHEMBL4205 | EC50 | 5.32 | 5.32 | 4800.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 3 | EC50 | = | 480.0 | nM | 6.32 | Effect on blockade of mouse Kv1.3 channel expressed in L929 cells | 16480279 |
| Potassium voltage-gated channel subfamily A member 5 | EC50 | = | 700.0 | nM | 6.16 | Effect on blockade of Kv1.5 channel | 16480279 |
| Potassium voltage-gated channel subfamily A member 1 | EC50 | = | 1700.0 | nM | 5.77 | Effect on blockade of Kv1.1 channel | 16480279 |
| T-cell | EC50 | = | 2500.0 | nM | 5.6 | Inhibition of anti-CD3 antibody stimulated human T cell proliferation | 16480279 |
| Potassium voltage-gated channel subfamily A member 2 | EC50 | = | 2500.0 | nM | 5.6 | Effect on blockade of Kv1.2 channel | 16480279 |
| Potassium voltage-gated channel subfamily A member 4 | EC50 | = | 4800.0 | nM | 5.32 | Effect on blockade of Kv1.4 channel | 16480279 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | EC50 | = | 5000.0 | nM | 5.3 | Effect on blockade of Kv11.1 channel | 16480279 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16480279 | 10.1021/jm050839v | Potassium voltage-gated channel subfamily A member 3 | 1 |
| 16480279 | 10.1021/jm050839v | T-cell | 1 |
| 16480279 | 10.1021/jm050839v | Potassium voltage-gated channel subfamily A member 1 | 1 |
| 16480279 | 10.1021/jm050839v | Potassium voltage-gated channel subfamily A member 2 | 1 |
| 16480279 | 10.1021/jm050839v | Potassium voltage-gated channel subfamily A member 4 | 1 |
| 16480279 | 10.1021/jm050839v | Potassium voltage-gated channel subfamily A member 5 | 1 |
| 16480279 | 10.1021/jm050839v | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine