Compound Detail
CHEMBL4202870
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Basic Information
| ChEMBL ID | CHEMBL4202870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCCRCPRIAOYATR-NSCUHMNNSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
279.7
MW (Da)
1.73
ALogP
3
HBA
4
HBD
99.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 4 CHEMBL5583 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| Potassium voltage-gated channel subfamily A member 4 CHEMBL4205 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Potassium voltage-gated channel subfamily A member 6 CHEMBL5279 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Potassium voltage-gated channel subfamily A member 3 CHEMBL4633 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 4 | IC50 | = | 730.0 | nM | 6.14 | Inhibition of rat Kv1.4 expressed in Xenopus laevis oocytes at -90 mV holding po... | 28802123 |
| Potassium voltage-gated channel subfamily A member 4 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of human Kv1.4 expressed in CHO cells at -80 mV holding potential by ... | 28802123 |
| Potassium voltage-gated channel subfamily A member 6 | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of human Kv1.6 expressed in CHO cells at -80 mV holding potential by ... | 28802123 |
| Potassium voltage-gated channel subfamily A member 3 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of human Kv1.3 expressed in CHO cells at -80 mV holding potential by ... | 28802123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 3 | 3 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 4 | 3 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 6 | 3 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 1 | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 2 | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 5 | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Voltage-gated delayed rectifier potassium channel KCNH1 | 1 |
Data from ChEMBL 36 via Core Engine