Compound Detail
CHEMBL3187891
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Basic Information
| ChEMBL ID | CHEMBL3187891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCZVRYSHVOQAAB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.89
ALogP
3
HBA
2
HBD
71.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium channel subfamily K member 3 CHEMBL2321613 | IC50 | 7.02 | 6.345 | 95.0 | 2 |
| Potassium channel subfamily K member 9 CHEMBL2321614 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium channel subfamily K member 3 | IC50 | = | 95.0 | nM | 7.02 | Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux as... | 25017033 |
| Potassium channel subfamily K member 3 | IC50 | = | 2140.0 | nM | 5.67 | Inhibition of TASK-1 (unknown origin) expressed in CHO cells by QPatch assay | 25017033 |
| Potassium channel subfamily K member 9 | IC50 | = | 12500.0 | nM | 4.9 | Inhibition of TASK-3 (unknown origin) expressed in HEK293 cells by QPatch assay | 25017033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25017033 | 10.1016/j.bmcl.2014.06.032 | No relevant target | 4 |
| 25017033 | 10.1016/j.bmcl.2014.06.032 | Potassium channel subfamily K member 3 | 3 |
| 25017033 | 10.1016/j.bmcl.2014.06.032 | Potassium channel subfamily K member 9 | 2 |
| 25017033 | 10.1016/j.bmcl.2014.06.032 | Unchecked | 2 |
| 25017033 | 10.1016/j.bmcl.2014.06.032 | Potassium voltage-gated channel subfamily KQT member 2 | 1 |
| 25017033 | 10.1016/j.bmcl.2014.06.032 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 25017033 | 10.1016/j.bmcl.2014.06.032 | Inward rectifier potassium channel 2 | 1 |
Data from ChEMBL 36 via Core Engine