Compound Detail
CHEMBL459134
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Basic Information
| ChEMBL ID | CHEMBL459134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIQSJYWNCJJCOM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
270.4
MW (Da)
1.78
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 4.06 | 4.06 | 86763.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 86763.0 | nM | 4.06 | Inhibition of human liver fructose-1,6-bisphosphatase in presence of fructose-2,... | 18650089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18650089 | 10.1016/j.bmcl.2008.06.103 | Fructose-1,6-bisphosphatase 1 | 2 |
Data from ChEMBL 36 via Core Engine