Compound Detail
CHEMBL215533
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Basic Information
| ChEMBL ID | CHEMBL215533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEPFPUQATOXWDY-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1182157 |
| Active Moiety | CHEMBL1182157 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
3.65
ALogP
5
HBA
0
HBD
46.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Ki 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel CHEMBL2096673 | Ki | 6.14 | 6.14 | 730.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel | Ki | = | 730.0 | nM | 6.14 | Displacement of [125I]apamin from Wistar rat cortical apamin-sensitive site | 17125273 |
| Rattus norvegicus | IC50 | = | 9000.0 | nM | 5.05 | Blockade of apamin-sensitive AHP in Wistar rat dopaminergic neurons by electroph... | 17125273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17125273 | 10.1021/jm0607395 | Small conductance calcium-activated potassium channel | 2 |
| 17125273 | 10.1021/jm0607395 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine