Compound Detail
CHEMBL133311
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Nc1cc[n+](Cc2ccc(-c3cccc(-c4ccc(C[n+]5ccc(N)c6ccccc65)cc4)n3)cc2)c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL133311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFVSMSPEUHDGKK-UHFFFAOYSA-P |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
545.7
MW (Da)
6.56
ALogP
3
HBA
2
HBD
72.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel CHEMBL2096673 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel | IC50 | = | 360.0 | nM | 6.44 | The blocking of apamin-sensitive [Ca2+]-activated K+ (SKCa) channel was assessed... | 10669569 |
| Rattus norvegicus | IC50 | = | 360.0 | nM | 6.44 | 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 |
Data from ChEMBL 36 via Core Engine