Compound Detail
CHEMBL45193
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[Br-].[Br-].c1cc2cc(c1)C[n+]1ccc(c3ccccc31)NCc1ccc(cc1)CNc1cc[n+](c3ccccc13)C2
Basic Information
| ChEMBL ID | CHEMBL45193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPNMQIKQVCWNTP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1178830 |
| Active Moiety | CHEMBL1178830 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
6.20
ALogP
2
HBA
2
HBD
31.8
PSA (Ų)
0.25
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 1 CHEMBL2369 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of hSK1 calcium activated potassium channel (SKCa channel) | 11356099 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11356099 | 10.1021/jm000484+ | Small conductance calcium-activated potassium channel protein 1 | 1 |
Data from ChEMBL 36 via Core Engine