Compound Detail
CHEMBL3105838
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Basic Information
| ChEMBL ID | CHEMBL3105838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQCDAJQMTHYPRN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
3.04
ALogP
4
HBA
3
HBD
103.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 CHEMBL2331053 | IC50 | 6.31 | 5.44 | 490.0 | 2 |
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 | = | 490.0 | nM | 6.31 | Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli ... | 24398380 |
| 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of PFKFB3 (unknown origin) | 24398380 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24398380 | 10.1016/j.bmc.2013.12.041 | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | 2 |
Data from ChEMBL 36 via Core Engine