Compound Detail
CHEMBL5286087
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N#Cc1ccc(C(C(=O)NCCc2ccc(O)cc2)N2C(=O)C3Cc4ccc(O)cc4CN3C(=O)C2CC2CCCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL5286087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGZYWHKODCUJOM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
606.7
MW (Da)
4.50
ALogP
6
HBA
3
HBD
134.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 370.0 | nM | 6.43 | Inhibition of human liver FBPase by spectrophotometric method | 29055870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29055870 | 10.1016/j.ejmech.2017.09.029 | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine