Compound Detail
CHEMBL2391687
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O.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.c1ccc2c(c1)c1cc[n+]2CCSCC[n+]2ccc(c3ccccc32)NCCCCCN1
Basic Information
| ChEMBL ID | CHEMBL2391687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATKBVCXDVLDLTI-XJSLOMHZSA-N |
| Parent Compound | CHEMBL3040293 |
| Active Moiety | CHEMBL3040293 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
5.01
ALogP
3
HBA
2
HBD
31.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 3 CHEMBL3780 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 3 | IC50 | = | 4.1 | nM | 8.39 | Inhibition of KCa2.3 in Sprague-Dawley rat superior cervical ganglion neurons as... | 23685886 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23685886 | 10.1016/j.ejmech.2013.02.029 | Small conductance calcium-activated potassium channel protein 3 | 2 |
Data from ChEMBL 36 via Core Engine