Compound Detail
CHEMBL1097226
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Basic Information
| ChEMBL ID | CHEMBL1097226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSJHIYMKOLGKSR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
4.87
ALogP
7
HBA
4
HBD
128.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL2263 | IC50 | 5.82 | 5.82 | 1500.0 | 2 |
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 5.09 | 5.09 | 8100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of pig kidney fructose-1,6-bisphosphatase expressed in Escherichia co... | 20116906 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 1500.0 | nM | 5.82 | Spectrophotometrical Assay: FBPase activity was measured spectrophotometrically ... | - |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 8100.0 | nM | 5.09 | Inhibition of human liver fructose-1,6-bisphosphatase expressed in Escherichia c... | 20116906 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 8100.0 | nM | 5.09 | Spectrophotometrical Assay: FBPase activity was measured spectrophotometrically ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20116906 | 10.1016/j.ejmech.2009.12.055 | Fructose-1,6-bisphosphatase 1 | 2 |
Data from ChEMBL 36 via Core Engine