Compound Detail
CHEMBL5078308
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Basic Information
| ChEMBL ID | CHEMBL5078308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUGCOOPFHNAQML-AREMUKBSSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
5.12
ALogP
7
HBA
1
HBD
73.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 CHEMBL2331053 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 148.0 | mL.min-1.g-1 | Mus musculus |
| CL | 142.0 | 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 | = | 6.5 | nM | 8.19 | Inhibition of recombinant His-tagged human PFKFB3 using fructose-6-phospahte as ... | - |
Data from ChEMBL 36 via Core Engine