Compound Detail
CHEMBL242789
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COc1cc2cc[n+](C)c(CCCc3c4c(OC)c(OC)c(OC)cc4cc[n+]3C)c2c(OC)c1OC.[I-].[I-]
Basic Information
| ChEMBL ID | CHEMBL242789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPUUOOIBIAQQTK-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1182542 |
| Active Moiety | CHEMBL1182542 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
3.87
ALogP
6
HBA
0
HBD
63.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel CHEMBL2096673 | Ki | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel | Ki | = | 90.0 | nM | 7.05 | Displacement of [125I]apamin from SK channel in Wistar rat cortex | 17867663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17867663 | 10.1021/jm070412j | Small conductance calcium-activated potassium channel | 2 |
Data from ChEMBL 36 via Core Engine