Compound Detail
CHEMBL205792
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Basic Information
| ChEMBL ID | CHEMBL205792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAYYMURZGLJDCT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
464.3
MW (Da)
5.19
ALogP
6
HBA
2
HBD
107.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 6.24 | 6.24 | 570.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.24 | 6.24 | 570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 570.0 | nM | 6.24 | Inhibition of human FBPase1 | 16446092 |
| Unchecked | IC50 | = | 570.0 | nM | 6.24 | Inhibition of human recombinant FBPase using fructose-1,6-biphosphate as substra... | 22960695 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 570.0 | nM | 6.24 | Inhibition of recombinant C-terminal His-tagged human liver FBPase expressed in ... | 29055870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16446092 | 10.1016/j.bmcl.2006.01.014 | Fructose-1,6-bisphosphatase 1 | 1 |
| 22960695 | 10.1016/j.ejmech.2012.08.004 | Unchecked | 1 |
| 29055870 | 10.1016/j.ejmech.2017.09.029 | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine