Compound Detail
CHEMBL589863
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Basic Information
| ChEMBL ID | CHEMBL589863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDPUXQSKWRFVOE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
454.4
MW (Da)
3.36
ALogP
7
HBA
2
HBD
97.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
EC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 7.4 | 7.225 | 40.0 | 2 |
| Fructose-1,6-bisphosphatase 1 CHEMBL5360 | EC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of FBPase in human liver using fructose-2,6phosphate as a substrate | 19969452 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of FBPase in human liver | 19969452 |
| Fructose-1,6-bisphosphatase 1 | EC50 | = | 3200.0 | nM | 5.5 | Inhibition of FBPase in mouse liver | 19969452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19969452 | 10.1016/j.bmcl.2009.11.093 | Fructose-1,6-bisphosphatase 1 | 3 |
Data from ChEMBL 36 via Core Engine