Compound Detail
CHEMBL1909929
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CC(C)c1cccc2cc[n+](C)c(CCCCc3c4c(C(C)C)cccc4cc[n+]3C)c12.[I-].[I-]
Basic Information
| ChEMBL ID | CHEMBL1909929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCCNMOYXLAELDP-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1962852 |
| Active Moiety | CHEMBL1962852 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
426.6
MW (Da)
6.45
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.24
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 2 CHEMBL4469 | Ki | 6.71 | 6.71 | 194.0 | 1 |
| Small conductance calcium-activated potassium channel protein 3 CHEMBL3381 | Ki | 6.67 | 6.67 | 214.0 | 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 | Ki | = | 194.0 | nM | 6.71 | Displacement of [125I]-apamin from cloned SK2 channel expressed in human HEK293 ... | 21978678 |
| Small conductance calcium-activated potassium channel protein 3 | Ki | = | 214.0 | nM | 6.67 | Displacement of [125I]-apamin from cloned SK3 channel expressed in human HEK293 ... | 21978678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21978678 | 10.1016/j.bmcl.2011.09.043 | Small conductance calcium-activated potassium channel protein 2 | 1 |
| 21978678 | 10.1016/j.bmcl.2011.09.043 | Small conductance calcium-activated potassium channel protein 3 | 1 |
Data from ChEMBL 36 via Core Engine