Compound Detail
CHEMBL397282
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COc1cc2cc[n+](C)c(Cc3cccc(Cc4c5c(OC)c(OC)c(OC)cc5cc[n+]4C)c3)c2c(OC)c1OC.[I-].[I-]
Basic Information
| ChEMBL ID | CHEMBL397282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AALJQFDWFJQILP-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1185196 |
| Active Moiety | CHEMBL1185196 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
570.7
MW (Da)
4.88
ALogP
6
HBA
0
HBD
63.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.62
Ki 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel CHEMBL2096673 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Small conductance calcium-activated potassium channel CHEMBL2096673 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel | Ki | = | 23.0 | nM | 7.64 | Displacement of [125I]apamin from SK channel in Wistar rat cortex | 17867663 |
| Small conductance calcium-activated potassium channel | IC50 | = | 2400.0 | nM | 5.62 | Blockade of SK channel in Wistar rat brain assessed as inhibition of apamin-sens... | 17867663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17867663 | 10.1021/jm070412j | Small conductance calcium-activated potassium channel | 3 |
Data from ChEMBL 36 via Core Engine