Compound Detail
CHEMBL5273875
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Basic Information
| ChEMBL ID | CHEMBL5273875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRMBZXPQJOYLID-DEOSSOPVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
4.41
ALogP
9
HBA
1
HBD
99.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 CHEMBL2331053 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | IC50 | = | 4.2 | nM | 8.38 | Inhibition of PFKFB3 (unknown origin) incubated for 90 mins by ADP-Glo luminesce... | 32679452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32679452 | 10.1016/j.ejmech.2020.112612 | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | 1 |
Data from ChEMBL 36 via Core Engine