Compound Detail
CHEMBL3393956
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3393956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTIRWRUDUCYTFJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
2.35
ALogP
4
HBA
3
HBD
133.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta... | 25461330 |
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Inhibition of recombinant human FBP expressed in expressed Escherichia coli BL21... | 35059131 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human liver FBPase | 29055870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25461330 | 10.1016/j.ejmech.2014.11.049 | Fructose-1,6-bisphosphatase 1 | 1 |
| 35059131 | 10.1021/acsmedchemlett.1c00613 | Unchecked | 1 |
| 29055870 | 10.1016/j.ejmech.2017.09.029 | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine