Compound Detail
CHEMBL75001
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Basic Information
| ChEMBL ID | CHEMBL75001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSMLYTJJLFECDK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
371.7
MW (Da)
3.82
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.52
IC50 1 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate dehydrogenase kinase CHEMBL2096665 | IC50 | 6.95 | 6.95 | 113.0 | 1 |
| Homo sapiens CHEMBL372 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate dehydrogenase kinase | IC50 | = | 113.0 | nM | 6.95 | Inhibition of porcine pyruvate dehydrogenase kinase (PDHK)in a primary enzymatic... | 10841803 |
| Homo sapiens | EC50 | = | 30000.0 | nM | 4.52 | Effective concentration in human fibroblasts for increased oxidation of lactate | 10841803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10841803 | 10.1021/jm0000923 | Pyruvate dehydrogenase kinase | 1 |
| 10841803 | 10.1021/jm0000923 | Homo sapiens | 1 |
| 8917648 | 10.1021/jm960365n | Sulfonylurea receptors; K-ATP channels | 1 |
Data from ChEMBL 36 via Core Engine