Compound Detail
CHEMBL4750573
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Basic Information
| ChEMBL ID | CHEMBL4750573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMNIKQNJCKSDIZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
234.4
MW (Da)
2.19
ALogP
8
HBA
0
HBD
51.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 560.0 | nM | 6.25 | Inhibition of wild-type full-length human liver FBPase expressed in Escherichia ... | 32711108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32711108 | 10.1016/j.ejmech.2020.112500 | Mus musculus | 2 |
| 32711108 | 10.1016/j.ejmech.2020.112500 | Fructose-1,6-bisphosphatase 1 | 1 |
| 32711108 | 10.1016/j.ejmech.2020.112500 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine