Compound Detail
CHEMBL70996
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Basic Information
| ChEMBL ID | CHEMBL70996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVEDGSIMCSQNNX-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
337.3
MW (Da)
3.17
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.09
EC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sulfonylurea receptors; K-ATP channels CHEMBL2095152 | IC50 | 7.09 | 6.01 | 82.0 | 3 |
| Homo sapiens CHEMBL372 | EC50 | 5.08 | 5.08 | 8270.0 | 1 |
| Pyruvate dehydrogenase kinase CHEMBL2096665 | IC50 | 5.03 | 5.03 | 9300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sulfonylurea receptors; K-ATP channels | IC50 | = | 82.0 | nM | 7.09 | Contraction and relaxation of guinea pig portal vein with KCl and glibenclamide ... | 8917648 |
| Sulfonylurea receptors; K-ATP channels | IC50 | = | 3000.0 | nM | 5.52 | Compound was measured in vitro for potassium channel opening (PCO) activity | - |
| Sulfonylurea receptors; K-ATP channels | IC50 | = | 3800.0 | nM | 5.42 | IC50 evaluated by measuring contraction and relaxation of guinea pig bladder str... | 8917648 |
| Homo sapiens | EC50 | = | 8270.0 | nM | 5.08 | Effective concentration in human fibroblasts for increased oxidation of lactate | 10841803 |
| Pyruvate dehydrogenase kinase | IC50 | = | 9300.0 | nM | 5.03 | Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic... | 10841803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8917648 | 10.1021/jm960365n | Rattus norvegicus | 9 |
| 8917648 | 10.1021/jm960365n | Sulfonylurea receptors; K-ATP channels | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 10841803 | 10.1021/jm0000923 | Pyruvate dehydrogenase kinase | 1 |
| 10841803 | 10.1021/jm0000923 | Homo sapiens | 1 |
| 8917648 | 10.1021/jm960365n | No relevant target | 1 |
| - | 10.1016/S0960-894X(97)00111-X | Sulfonylurea receptors; K-ATP channels | 1 |
Data from ChEMBL 36 via Core Engine