Compound Detail
CHEMBL507312
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Basic Information
| ChEMBL ID | CHEMBL507312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWOOHDHSIRZASU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
1.85
ALogP
8
HBA
3
HBD
140.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotome... | 19348494 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19348494 | 10.1021/jm900078f | Fructose-1,6-bisphosphatase 1 | 2 |
| 19348494 | 10.1021/jm900078f | Hepatocyte | 1 |
| 19348494 | 10.1021/jm900078f | Unchecked | 1 |
| 29055870 | 10.1016/j.ejmech.2017.09.029 | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine