Compound Detail
CHEMBL482734
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Basic Information
| ChEMBL ID | CHEMBL482734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALCWDDPQWXTHJP-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
337.3
MW (Da)
1.13
ALogP
7
HBA
3
HBD
140.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.1
EC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 6.1 | 5.9133 | 800.0 | 3 |
| Fructose-1,6-bisphosphatase 1 CHEMBL4391 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Hepatocyte CHEMBL613362 | EC50 | 4.75 | 4.75 | 18000.0 | 1 |
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 FBP | 21126019 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotome... | 19348494 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of human liver FBPase 1 | 20055427 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of rat liver FBPase | 19348494 |
| Hepatocyte | EC50 | = | 18000.0 | nM | 4.75 | 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 | Fructose-1,6-bisphosphatase 1 | 2 |
| 19348494 | 10.1021/jm900078f | Hepatocyte | 1 |
| 20055427 | 10.1021/jm901420x | Fructose-1,6-bisphosphatase 1 | 1 |
| 21126019 | 10.1021/jm101035x | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine