Compound Detail
CHEMBL65250
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Basic Information
| ChEMBL ID | CHEMBL65250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEKLAZGZLXRYAO-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
323.3
MW (Da)
3.51
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.4
EC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 6.6 | 6.6 | 250.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Venezuelan equine encephalitis virus CHEMBL613726 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
| Fructose-1,6-bisphosphatase 1 CHEMBL2263 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.12 | 5.12 | 7600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of (EGFR) epidermal growth factor receptor tyrosine kinase | 12190310 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 250.0 | nM | 6.6 | Concentration required to inhibit the human liver recombinant fructose-1,6-bisph... | 11140724 |
| Unchecked | IC50 | = | 250.0 | nM | 6.6 | Inhibition of human recombinant wild type fructose-1,6-bisphosphatase (F16BP) | 12190310 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 250.0 | nM | 6.6 | Inhibition of human liver FBPase | 29055870 |
| Venezuelan equine encephalitis virus | EC50 | = | 600.0 | nM | 6.22 | Antiviral activity against Venezuelan equine encephalitis virus TC-83 strain inf... | 34624490 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 770.0 | nM | 6.11 | Compound was evaluated for its concentration required to inhibit the porcine kid... | 11140724 |
| dengue virus type 2 | EC50 | = | 7600.0 | nM | 5.12 | Antiviral activity against DENV2 New Guinea C strain infected in human Huh7 cell... | 34624490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11140724 | 10.1016/s0960-894x(00)00586-2 | Fructose-1,6-bisphosphatase 1 | 3 |
| 11140724 | 10.1016/s0960-894x(00)00586-2 | Oryctolagus cuniculus | 1 |
| 12190310 | 10.1021/jm010496a | Unchecked | 1 |
| 12190310 | 10.1021/jm010496a | Epidermal growth factor receptor | 1 |
| 34624490 | 10.1016/j.bmcl.2021.128407 | dengue virus type 2 | 1 |
| 34624490 | 10.1016/j.bmcl.2021.128407 | Huh-7 | 1 |
| 34624490 | 10.1016/j.bmcl.2021.128407 | Venezuelan equine encephalitis virus | 1 |
| 34624490 | 10.1016/j.bmcl.2021.128407 | U-87 MG | 1 |
| 29055870 | 10.1016/j.ejmech.2017.09.029 | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine