Compound Detail
CHEMBL5078139
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5078139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZUHOFZPDUAMNB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
1
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
4.52
ALogP
9
HBA
1
HBD
95.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 CHEMBL2331053 | IC50 | 8.46 | 8.03 | 3.5 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 188.0 | mL.min-1.g-1 | Mus musculus |
| CL | 163.0 | mL.min-1.g-1 | Homo sapiens |
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 | = | 3.5 | nM | 8.46 | Inhibition of PFKFB3 (unknown origin) incubated for 90 mins by ADP-Glo luminesce... | 32679452 |
| 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of recombinant His-tagged human PFKFB3 using fructose-6-phospahte as ... | - |
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