Compound Detail
CHEMBL570790
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Basic Information
| ChEMBL ID | CHEMBL570790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSEADEUPRWQKIW-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
5
PK Parameters
11
Publications
0
Known Names
Molecular Properties
381.3
MW (Da)
3.04
ALogP
5
HBA
3
HBD
114.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 7.26 | 6.3525 | 55.0 | 4 |
| Fructose-1,6-bisphosphatase 1 CHEMBL4391 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Hepatocyte CHEMBL613362 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 4.333 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 1.0 | % | Rattus norvegicus |
| F | 2.0 | % | Rattus norvegicus |
| T1/2 | 0.75 | hr | Rattus norvegicus |
| Vd | 0.25 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 55.0 | nM | 7.26 | Inhibition of human liver FBPase 1 | 20055427 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of human liver FBP | 21126019 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of human liver FBPase expressed in Escherichia coli | 29055870 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 550.0 | nM | 6.26 | Inhibition of rat liver FBPase 1 | 20055427 |
| Hepatocyte | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of glucose production in rat primary hepatocytes | 20055427 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 90000.0 | nM | 4.05 | Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotome... | 29055870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21126019 | 10.1021/jm101035x | Rattus norvegicus | 4 |
| 20055427 | 10.1021/jm901420x | Fructose-1,6-bisphosphatase 1 | 3 |
| 20055427 | 10.1021/jm901420x | Hepatocyte | 3 |
| 20055427 | 10.1021/jm901420x | Rattus norvegicus | 3 |
| 20055427 | 10.1021/jm901420x | Unchecked | 2 |
| 21126019 | 10.1021/jm101035x | Plasma | 2 |
| 29055870 | 10.1016/j.ejmech.2017.09.029 | Fructose-1,6-bisphosphatase 1 | 2 |
| 20055427 | 10.1021/jm901420x | Adenosine kinase | 1 |
| 20055427 | 10.1021/jm901420x | Adenosine deaminase | 1 |
| 20055427 | 10.1021/jm901420x | ATP-dependent 6-phosphofructokinase, muscle type | 1 |
| 21126019 | 10.1021/jm101035x | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine