Compound Detail
CHEMBL269729
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Nc1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N)c5ccccc54)cc3)cc2)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL269729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJOSVLNMVXPCHZ-UHFFFAOYSA-P |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
5.50
ALogP
2
HBA
2
HBD
59.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel CHEMBL2096673 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Small conductance calcium-activated potassium channel protein 2 CHEMBL2547 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 2 | IC50 | = | 380.0 | nM | 6.42 | Inhibitory concentration of compound required for SKCa blocking action was asses... | - |
| Small conductance calcium-activated potassium channel | IC50 | = | 380.0 | nM | 6.42 | The blocking of apamin-sensitive [Ca2+]-activated K+ (SKCa) channel was assessed... | 10669569 |
| Rattus norvegicus | IC50 | = | 380.0 | nM | 6.42 | Inhibition of after-hyperpolarization (AHP) in cultured rat sympathetic neurons | 8863802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669569 | 10.1021/jm9902537 | Small conductance calcium-activated potassium channel | 2 |
| 8863802 | 10.1021/jm950884a | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(96)00568-9 | Small conductance calcium-activated potassium channel protein 2 | 1 |
| - | 10.1016/S0960-894X(96)00568-9 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine