Compound Detail
CHEMBL519477
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 | CHEMBL519477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZMMJXCAXGJFAK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.3
MW (Da)
1.59
ALogP
7
HBA
3
HBD
140.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.62
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Hepatocyte CHEMBL613362 | EC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotome... | 19348494 |
| Hepatocyte | EC50 | = | 24000.0 | nM | 4.62 | Inhibition of glucose production in rat primary hepatocytes treated for 15 to 30... | 19348494 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19348494 | 10.1021/jm900078f | Fructose-1,6-bisphosphatase 1 | 2 |
| 19348494 | 10.1021/jm900078f | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine