Compound Detail
CHEMBL499800
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Basic Information
| ChEMBL ID | CHEMBL499800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDOKBPOUYXKMPH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.86
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium-activated potassium channel subunit alpha-1 CHEMBL4304 | IC50 | 5.6 | 5.6 | 2511.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcium-activated potassium channel subunit alpha-1 | IC50 | = | 2511.89 | nM | 5.6 | Activation of BK channel-mediated vasorelaxation activity assessed as reduction ... | 19026552 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23707646 | 10.1016/j.bmc.2013.05.003 | Calcium-activated potassium channel alpha/beta 1 | 4 |
| 23707646 | 10.1016/j.bmc.2013.05.003 | Calcium-activated potassium channel subunit alpha-1 | 4 |
| 19026552 | 10.1016/j.bmc.2008.10.068 | Calcium-activated potassium channel subunit alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine