Compound Detail
CHEMBL3127629
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3127629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSHIQEBEFHYDQY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
3.83
ALogP
4
HBA
3
HBD
108.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 5.37 | 5.37 | 4300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of human recombinant FBPase expressed in Escherichia coli BL21(DE3) b... | 24530031 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of recombinant C-terminal His-tagged human liver FBPase expressed in ... | 29055870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24530031 | 10.1016/j.bmc.2014.01.047 | Fructose-1,6-bisphosphatase 1 | 1 |
| 29055870 | 10.1016/j.ejmech.2017.09.029 | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine