Compound Detail
CHEMBL190003
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Basic Information
| ChEMBL ID | CHEMBL190003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGRTWIUDASITLZ-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1181718 |
| Active Moiety | CHEMBL1181718 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
346.9
MW (Da)
4.27
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.3
Ki 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel CHEMBL2096673 | Ki | 5.03 | 5.03 | 9300.0 | 1 |
| Small conductance calcium-activated potassium channel CHEMBL2096673 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel | Ki | = | 9300.0 | nM | 5.03 | Inhibition of [125I]apamin binding to calcium-activated potassium (SK) channel o... | 16033276 |
| Small conductance calcium-activated potassium channel | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of [125I]apamin binding to calcium-activated potassium (SK) channel o... | 16033276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033276 | 10.1021/jm049025p | Small conductance calcium-activated potassium channel | 3 |
Data from ChEMBL 36 via Core Engine