Compound Detail
CHEMBL137116
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c1ccc2c(c1)c1cc[n+]2CCCCCCCCCC[n+]2ccc(c3ccccc32)NCc2ccc(cc2)-c2ccc(cc2)CN1
Basic Information
| ChEMBL ID | CHEMBL137116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMLCNHDPJLCOHX-UUHCYPSGSA-P |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
606.9
MW (Da)
9.59
ALogP
2
HBA
2
HBD
31.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel CHEMBL2096673 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel | IC50 | = | 210.0 | nM | 6.68 | The blocking of apamin-sensitive [Ca2+]-activated K+ (SKCa) channel was assessed... | 10669569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669569 | 10.1021/jm9902537 | Small conductance calcium-activated potassium channel | 2 |
Data from ChEMBL 36 via Core Engine