Compound Detail
CHEMBL4303611
PFK-158 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL4303611 |
| Name | PFK-158 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | IAJOMYABKVAZCN-AATRIKPKSA-N |
2
Targets
3
Activities
1
Assay Types
3
PK Parameters
13
Publications
1
Known Names
1
Indications
Molecular Properties
328.3
MW (Da)
4.54
ALogP
3
HBA
0
HBD
42.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Unknown |
Indications
Neoplasms
Activity Summary
IC50 3 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 CHEMBL2331053 | IC50 | 6.86 | 6.33 | 137.0 | 2 |
| A549 CHEMBL392 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3235.0 | ng.hr.mL-1 | Mus musculus |
| CL | 26.0 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 10.5 | hr | Mus musculus |
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 | = | 137.0 | nM | 6.86 | Inhibition of PFKFB3 (unknown origin) by ADP-Glo luminescent assay | 32679452 |
| 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of PFKFB3 in human Jurkat cells incubated for 3 hrs | 32679452 |
| A549 | IC50 | = | 15000.0 | nM | 4.82 | Cytotoxicity against human A549 cells | 33766773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33766773 | 10.1016/j.bmcl.2021.127980 | Escherichia coli | 6 |
| 32679452 | 10.1016/j.ejmech.2020.112612 | ADMET | 5 |
| 33766773 | 10.1016/j.bmcl.2021.127980 | Staphylococcus epidermidis | 3 |
| 33766773 | 10.1016/j.bmcl.2021.127980 | Enterobacter cloacae | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 33766773 | 10.1016/j.bmcl.2021.127980 | Staphylococcus aureus | 2 |
| 33766773 | 10.1016/j.bmcl.2021.127980 | Enterococcus faecalis | 2 |
| 32679452 | 10.1016/j.ejmech.2020.112612 | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 33766773 | 10.1016/j.bmcl.2021.127980 | Acinetobacter baumannii | 1 |
| 33766773 | 10.1016/j.bmcl.2021.127980 | A549 | 1 |
Data from ChEMBL 36 via Core Engine