Compound Detail
CHEMBL584749
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Basic Information
| ChEMBL ID | CHEMBL584749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZRSQFOSYLPEJG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.3
MW (Da)
2.73
ALogP
5
HBA
3
HBD
114.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Fructose-1,6-bisphosphatase 1 CHEMBL4391 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Hepatocyte CHEMBL613362 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of human liver FBPase 1 | 20055427 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of rat liver FBPase 1 | 20055427 |
| Hepatocyte | IC50 | = | 100000.0 | nM | 4.0 | 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