Compound Detail
CHEMBL559070
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 | CHEMBL559070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLJUBZLCUKKJLU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
3.67
ALogP
6
HBA
4
HBD
85.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL2263 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Alpha-amylase 1A CHEMBL2478 | IC50 | 3.86 | 3.86 | 138000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotomet... | 19419876 |
| Alpha-amylase 1A | IC50 | = | 138000.0 | nM | 3.86 | Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis... | 26395057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26395057 | 10.1016/j.bmc.2015.09.007 | Alpha-amylase 1A | 2 |
| 19419876 | 10.1016/j.bmc.2009.04.030 | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine