Compound Detail
CHEMBL595149
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Basic Information
| ChEMBL ID | CHEMBL595149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRHXEPNJEQXSSS-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
396.7
MW (Da)
3.07
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.96
EC50 2 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 6.96 | 6.6 | 110.0 | 4 |
| Fructose-1,6-bisphosphatase 1 CHEMBL5360 | IC50 | 5.24 | 5.24 | 5790.0 | 1 |
| Hepatocyte CHEMBL3140324 | EC50 | 4.31 | 4.31 | 49000.0 | 1 |
| Fructose-1,6-bisphosphatase 1 CHEMBL5360 | EC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of FBPase in human liver using fructose-2,6phosphate as a substrate | 19969452 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of FBPase in human liver | 19969452 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of human liver fructose-1,6-bisphosphatase | 21550236 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of FBPase (unknown origin) | 32820629 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 5790.0 | nM | 5.24 | Inhibition of mouse liver fructose-1,6-bisphosphatase | 21550236 |
| Fructose-1,6-bisphosphatase 1 | EC50 | = | 49000.0 | nM | 4.31 | Inhibition of FBPase in mouse liver | 19969452 |
| Hepatocyte | EC50 | = | 49000.0 | nM | 4.31 | Reduction of glucose production in mouse hepatocytes after 6 hrs by glucose oxid... | 21550236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19969452 | 10.1016/j.bmcl.2009.11.093 | Fructose-1,6-bisphosphatase 1 | 3 |
| 21550236 | 10.1016/j.bmcl.2011.04.044 | Fructose-1,6-bisphosphatase 1 | 2 |
| 21550236 | 10.1016/j.bmcl.2011.04.044 | Hepatocyte | 1 |
| 32820629 | 10.1021/acs.jmedchem.0c00726 | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine