Compound Detail
CHEMBL465950
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Basic Information
| ChEMBL ID | CHEMBL465950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGGVAXWLCTXVML-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.7
MW (Da)
2.86
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.29
IC50 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium-activated potassium channel subunit alpha-1 CHEMBL4304 | IC50 | 6.19 | 6.19 | 645.6 | 1 |
| A2780 CHEMBL614004 | EC50 | 4.29 | 4.29 | 51600.0 | 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 | = | 645.65 | nM | 6.19 | Activation of BK channel-mediated vasorelaxation activity assessed as reduction ... | 19026552 |
| A2780 | EC50 | = | 51600.0 | nM | 4.29 | Cytotoxicity against human A2780 cells by ESI in presence of TRIAL | 25505943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25505943 | 10.1039/c4md00109e | A2780 | 2 |
| 19026552 | 10.1016/j.bmc.2008.10.068 | Calcium-activated potassium channel subunit alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine