Compound Detail
CHEMBL585541
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CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)c(F)cc(-c3ccc(Cl)cc3)c21
Basic Information
| ChEMBL ID | CHEMBL585541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZFUZMZNPCZZOB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
463.8
MW (Da)
4.80
ALogP
5
HBA
3
HBD
114.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Fructose-1,6-bisphosphatase 1 CHEMBL4391 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of human liver FBPase 1 | 20055427 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of rat liver FBPase 1 | 20055427 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20055427 | 10.1021/jm901420x | Fructose-1,6-bisphosphatase 1 | 2 |
| 20055427 | 10.1021/jm901420x | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine