Compound Detail
CHEMBL5289074
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Cc1nc(-c2ccc3ccc(COCc4cn(Cc5ccc(C(=O)O)cc5)c(-c5ccc(Cl)s5)n4)cc3c2)no1
Basic Information
| ChEMBL ID | CHEMBL5289074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYUAXJYMYDPGRN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
571.1
MW (Da)
7.24
ALogP
8
HBA
1
HBD
103.3
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 4.29 | 4.29 | 51200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 51200.0 | nM | 4.29 | 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