Compound Detail
CHEMBL585945
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Basic Information
| ChEMBL ID | CHEMBL585945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQIKNNIVHZXNMI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
353.3
MW (Da)
2.48
ALogP
5
HBA
3
HBD
114.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Fructose-1,6-bisphosphatase 1 CHEMBL4391 | IC50 | 5.64 | 5.64 | 2280.0 | 1 |
| Hepatocyte CHEMBL613362 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human liver FBPase 1 | 20055427 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 2280.0 | nM | 5.64 | Inhibition of rat liver FBPase 1 | 20055427 |
| Hepatocyte | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of glucose production in rat primary hepatocytes | 20055427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20055427 | 10.1021/jm901420x | Fructose-1,6-bisphosphatase 1 | 2 |
| 20055427 | 10.1021/jm901420x | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine