Compound Detail
CHEMBL482735
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Basic Information
| ChEMBL ID | CHEMBL482735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNRCWALNVIZCTJ-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
1
PK Parameters
10
Publications
0
Known Names
Molecular Properties
351.3
MW (Da)
1.52
ALogP
7
HBA
3
HBD
140.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.1
EC50 1 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 6.1 | 6.1 | 800.0 | 2 |
| Fructose-1,6-bisphosphatase 1 CHEMBL4391 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
| Hepatocyte CHEMBL613362 | EC50 | 4.05 | 4.05 | 90000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 1.6 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotome... | 19348494 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of human liver FBPase 1 | 20055427 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 1250.0 | nM | 5.9 | Inhibition of rat liver FBPase | 19348494 |
| Hepatocyte | EC50 | = | 90000.0 | nM | 4.05 | Inhibition of glucose production in rat primary hepatocytes treated for 15 to 30... | 19348494 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19348494 | 10.1021/jm900078f | Unchecked | 4 |
| 19348494 | 10.1021/jm900078f | Rattus norvegicus | 4 |
| 19348494 | 10.1021/jm900078f | Hepatocyte | 3 |
| 19348494 | 10.1021/jm900078f | Fructose-1,6-bisphosphatase 1 | 2 |
| 19348494 | 10.1021/jm900078f | Adenosine kinase | 1 |
| 19348494 | 10.1021/jm900078f | Adenylate kinase isoenzyme 1 | 1 |
| 19348494 | 10.1021/jm900078f | Glycogen phosphorylase, muscle form | 1 |
| 19348494 | 10.1021/jm900078f | Liver | 1 |
| 20055427 | 10.1021/jm901420x | Fructose-1,6-bisphosphatase 1 | 1 |
| 29055870 | 10.1016/j.ejmech.2017.09.029 | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine