Compound Detail
CHEMBL3287959
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Basic Information
| ChEMBL ID | CHEMBL3287959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INCXLOIITHWYDT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
4.59
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 5.88 | 5.88 | 1320.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.51 | 5.51 | 3060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 1320.0 | nM | 5.88 | Inhibition of FBPase (unknown origin) | 29751237 |
| Unchecked | IC50 | = | 3060.0 | nM | 5.51 | Inhibition of human recombinant FBPase-mediated fructose-6-phosphate formation b... | 24946215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24946215 | 10.1016/j.ejmech.2014.06.011 | Unchecked | 1 |
| 29751237 | 10.1016/j.ejmech.2018.04.061 | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine