Compound Detail
CHEMBL2052025
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Basic Information
| ChEMBL ID | CHEMBL2052025 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KETNJMFMQSPSCW-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.26
ALogP
4
HBA
1
HBD
70.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.42
IC50 2 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 6.12 | 5.75 | 750.0 | 2 |
| Sulfonylurea receptors; K-ATP channels CHEMBL2095152 | EC50 | 5.42 | 5.2833 | 3800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 750.0 | nM | 6.12 | The inhibitory concentration of compound on guinea pig portal vein | 11356099 |
| Sulfonylurea receptors; K-ATP channels | EC50 | = | 3800.0 | nM | 5.42 | Potassium channel opening activity determined in cultured guinea pig urinary bla... | 12031324 |
| Sulfonylurea receptors; K-ATP channels | EC50 | = | 3801.89 | nM | 5.42 | Evaluated for K-ATP activity in terms of change in membrane potential through gu... | 15163196 |
| Cavia porcellus | IC50 | = | 4200.0 | nM | 5.38 | The inhibitory concentration of compound on guinea pig bladder strips | 11356099 |
| Sulfonylurea receptors; K-ATP channels | EC50 | = | 9772.37 | nM | 5.01 | Evaluated for K-ATP activity in terms of stable twitch response through field-st... | 15163196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11356099 | 10.1021/jm000484+ | Cavia porcellus | 2 |
| 15163196 | 10.1021/jm030356w | Sulfonylurea receptors; K-ATP channels | 2 |
| 12031324 | 10.1016/s0960-894x(02)00207-x | Sulfonylurea receptors; K-ATP channels | 1 |
Data from ChEMBL 36 via Core Engine