Compound Detail
CHEMBL549667
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Basic Information
| ChEMBL ID | CHEMBL549667 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REWMALDCUMYVEA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
3.96
ALogP
5
HBA
3
HBD
82.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL2263 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 48000.0 | nM | 4.32 | Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotomet... | 19419876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19419876 | 10.1016/j.bmc.2009.04.030 | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine