Compound Detail
CHEMBL140684
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Basic Information
| ChEMBL ID | CHEMBL140684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPCMDTZHJZGSCV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
2.76
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sulfonylurea receptors; K-ATP channels CHEMBL2095152 | IC50 | 5.71 | 5.705 | 1970.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sulfonylurea receptors; K-ATP channels | IC50 | = | 1970.0 | nM | 5.71 | Compound was measured in vitro for potassium channel opening (PCO) activity | - |
| Sulfonylurea receptors; K-ATP channels | IC50 | = | 2000.0 | nM | 5.7 | IC50 evaluated by measuring contraction and relaxation of guinea pig bladder str... | 8917648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8917648 | 10.1021/jm960365n | Rattus norvegicus | 9 |
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| 8917648 | 10.1021/jm960365n | Sulfonylurea receptors; K-ATP channels | 1 |
| - | 10.1016/S0960-894X(97)00111-X | Sulfonylurea receptors; K-ATP channels | 1 |
Data from ChEMBL 36 via Core Engine