Compound Detail
CHEMBL3422671
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 | CHEMBL3422671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCYHYEFBTFIIEK-QFIPXVFZSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
3.56
ALogP
6
HBA
2
HBD
82.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 CHEMBL2331053 | IC50 | 6.59 | 5.86 | 256.0 | 2 |
| 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 CHEMBL3421524 | IC50 | 4.27 | 4.27 | 53800.0 | 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 | = | 256.0 | nM | 6.59 | Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate a... | 25849762 |
| 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | IC50 | = | 7480.0 | nM | 5.13 | Inhibition of PFKFB3 in human A549 cells assessed as reduction of fructose-1,6-b... | 25849762 |
| 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 | IC50 | = | 53800.0 | nM | 4.27 | Inhibition of recombinant human PFKFB1 using fructose 6 phosphate as substrate a... | 25849762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25849762 | 10.1021/acs.jmedchem.5b00352 | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | 3 |
| 25849762 | 10.1021/acs.jmedchem.5b00352 | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 | 1 |
| 25849762 | 10.1021/acs.jmedchem.5b00352 | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2 | 1 |
| 25849762 | 10.1021/acs.jmedchem.5b00352 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine