Compound Detail
CHEMBL187736
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Basic Information
| ChEMBL ID | CHEMBL187736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSZCYKSFUCWPPX-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1181661 |
| Active Moiety | CHEMBL1181661 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
391.3
MW (Da)
4.38
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.45
Ki 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel CHEMBL2096673 | Ki | 5.17 | 5.17 | 6800.0 | 1 |
| Small conductance calcium-activated potassium channel CHEMBL2096673 | IC50 | 4.45 | 4.45 | 35200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel | Ki | = | 6800.0 | nM | 5.17 | Inhibition of [125I]apamin binding to calcium-activated potassium (SK) channel o... | 16033276 |
| Small conductance calcium-activated potassium channel | IC50 | = | 35200.0 | nM | 4.45 | 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