Compound Detail
CHEMBL3092944
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Basic Information
| ChEMBL ID | CHEMBL3092944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRSWCCBXIHFKKY-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
368.3
MW (Da)
3.68
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 2, facilitated glucose transporter member 4 CHEMBL5874 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.0 | 4.845 | 10000.0 | 2 |
| Solute carrier family 2, facilitated glucose transporter member 1 CHEMBL2535 | IC50 | 4.96 | 4.96 | 10900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 2, facilitated glucose transporter member 4 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of the Glucose Transporter (GLUT4, SLC2A4) as assessed by a FRET base... | - |
| NON-PROTEIN TARGET | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against human H1299 cells assessed as reduction in cell viability | 25288186 |
| Solute carrier family 2, facilitated glucose transporter member 1 | IC50 | = | 10900.0 | nM | 4.96 | Inhibition of GLUT1 in human H1299 cells assessed as inhibition of 2-deoxy-D-[3H... | 24200808 |
| NON-PROTEIN TARGET | IC50 | = | 20400.0 | nM | 4.69 | Cytotoxicity against human H1299 cells assessed as growth inhibition after 48 hr... | 24200808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25288186 | 10.1016/j.bmcl.2014.09.041 | NON-PROTEIN TARGET | 2 |
| 32736210 | 10.1016/j.bmcl.2020.127406 | ADMET | 2 |
| 32736210 | 10.1016/j.bmcl.2020.127406 | NCI-H1299 | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.5281/zenodo.7360656 | Solute carrier family 2, facilitated glucose transporter member 3 | 1 |
| - | 10.5281/zenodo.7360638 | Solute carrier family 2, facilitated glucose transporter member 4 | 1 |
| - | 10.5281/zenodo.7360664 | Solute carrier family 2, facilitated glucose transporter member 2 | 1 |
| - | 10.5281/zenodo.7360676 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| 24200808 | 10.1016/j.bmcl.2013.09.037 | NON-PROTEIN TARGET | 1 |
| 32736210 | 10.1016/j.bmcl.2020.127406 | Unchecked | 1 |
| 32736210 | 10.1016/j.bmcl.2020.127406 | A549 | 1 |
| 28042452 | 10.1039/C6MD00287K | A549 | 1 |
| 25288186 | 10.1016/j.bmcl.2014.09.041 | Unchecked | 1 |
| 25288186 | 10.1016/j.bmcl.2014.09.041 | A549 | 1 |
| 24344605 | 10.1021/np400809w | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
Data from ChEMBL 36 via Core Engine