Compound Detail
CHEMBL513561
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Basic Information
| ChEMBL ID | CHEMBL513561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYYUZFQFPKEYNV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
293.2
MW (Da)
3.65
ALogP
4
HBA
1
HBD
42.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Small conductance calcium-activated potassium channel protein 3 CHEMBL3381 | IC50 | 4.72 | 4.72 | 19100.0 | 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 | IC50 | = | 19100.0 | nM | 4.72 | Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay | 18824351 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18824351 | 10.1016/j.bmcl.2008.08.026 | Small conductance calcium-activated potassium channel protein 3 | 2 |
Data from ChEMBL 36 via Core Engine