Compound Detail
CHEMBL517208
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Basic Information
| ChEMBL ID | CHEMBL517208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLWNIZLFGXOZEU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
251.2
MW (Da)
1.72
ALogP
3
HBA
2
HBD
62.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL5360 | IC50 | 4.59 | 4.59 | 25740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 25740.0 | nM | 4.59 | Inhibition of fructose-1,6-bisphosphatase in mouse liver homogenates by colorime... | 19143528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19143528 | 10.1021/jm800720a | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine