Compound Detail
CHEMBL1778559
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Basic Information
| ChEMBL ID | CHEMBL1778559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDPIGKWQPAYCNH-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
465.5
MW (Da)
3.39
ALogP
7
HBA
2
HBD
114.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.28
EC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| Hepatocyte CHEMBL3140324 | EC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Fructose-1,6-bisphosphatase 1 CHEMBL5360 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 520.0 | nM | 6.28 | Inhibition of human liver fructose-1,6-bisphosphatase | 21550236 |
| Hepatocyte | EC50 | = | 5100.0 | nM | 5.29 | Reduction of glucose production in mouse hepatocytes after 6 hrs by glucose oxid... | 21550236 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of mouse liver fructose-1,6-bisphosphatase | 21550236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21550236 | 10.1016/j.bmcl.2011.04.044 | Mus musculus | 6 |
| 21550236 | 10.1016/j.bmcl.2011.04.044 | ADMET | 2 |
| 21550236 | 10.1016/j.bmcl.2011.04.044 | Fructose-1,6-bisphosphatase 1 | 2 |
| 21550236 | 10.1016/j.bmcl.2011.04.044 | Plasma | 1 |
| 21550236 | 10.1016/j.bmcl.2011.04.044 | Nucleic Acid | 1 |
| 21550236 | 10.1016/j.bmcl.2011.04.044 | Hepatocyte | 1 |
| 21550236 | 10.1016/j.bmcl.2011.04.044 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine