Compound Detail
CHEMBL3287977
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Basic Information
| ChEMBL ID | CHEMBL3287977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBZZBMPISQHWBG-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
3.58
ALogP
7
HBA
2
HBD
122.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 5.53 | 5.53 | 2980.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.53 | 5.53 | 2980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2980.0 | nM | 5.53 | Inhibition of human recombinant FBPase-mediated fructose-6-phosphate formation b... | 24946215 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 2980.0 | nM | 5.53 | Inhibition of FBPase (unknown origin) | 29751237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24946215 | 10.1016/j.ejmech.2014.06.011 | Hepatocyte | 6 |
| 29751237 | 10.1016/j.ejmech.2018.04.061 | Fructose-1,6-bisphosphatase 1 | 3 |
| 24946215 | 10.1016/j.ejmech.2014.06.011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine