Compound Detail
CHEMBL558625
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
C[N+]1(C)CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3.[Cl-]
Basic Information
| ChEMBL ID | CHEMBL558625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLJKFAMYSYWMND-GRTNUQQKSA-M |
| Parent Compound | CHEMBL515679 |
| Active Moiety | CHEMBL515679 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
2.73
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.16
Ki 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 3 CHEMBL3780 | Ki | 5.36 | 5.36 | 4400.0 | 1 |
| Small conductance calcium-activated potassium channel protein 3 CHEMBL3780 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 3 | Ki | = | 4400.0 | nM | 5.36 | Displacement of [I125]apamine from Wistar rat recombinant SK3 channel expressed ... | 18998663 |
| Small conductance calcium-activated potassium channel protein 3 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of Wistar rat recombinant SK3 channel expressed in HEK293 cells by wh... | 18998663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18998663 | 10.1021/jm800809f | Small conductance calcium-activated potassium channel protein 3 | 2 |
Data from ChEMBL 36 via Core Engine