Compound Detail
CHEMBL3182699
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Basic Information
| ChEMBL ID | CHEMBL3182699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGUJLTSCHPIURC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
458.4
MW (Da)
5.88
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium channel subfamily K member 3 CHEMBL2321613 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Potassium channel subfamily K member 9 CHEMBL2321614 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium channel subfamily K member 3 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux as... | 25017033 |
| Potassium channel subfamily K member 9 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of TASK-3 (unknown origin) expressed in CHO cells by thallium flux as... | 25017033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25017033 | 10.1016/j.bmcl.2014.06.032 | Potassium channel subfamily K member 3 | 2 |
| 25017033 | 10.1016/j.bmcl.2014.06.032 | Potassium channel subfamily K member 9 | 1 |
| 25017033 | 10.1016/j.bmcl.2014.06.032 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine