Compound Detail
CHEMBL3138584
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CCc1ccc([C@H]2C3=C(CCCC3=O)NC3=C2S(=O)(=O)CC3)cc1[N+](=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL3138584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXFRGXDWZHDKJR-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
2.88
ALogP
6
HBA
1
HBD
106.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sulfonylurea receptors; K-ATP channels CHEMBL2095152 | EC50 | 5.64 | 5.64 | 2290.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sulfonylurea receptors; K-ATP channels | EC50 | = | 2290.87 | nM | 5.64 | Evaluated for K-ATP activity in terms of change in membrane potential through gu... | 15163196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163196 | 10.1021/jm030356w | Sulfonylurea receptors; K-ATP channels | 2 |
Data from ChEMBL 36 via Core Engine