Compound Detail
CHEMBL3780717
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Basic Information
| ChEMBL ID | CHEMBL3780717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAHYDLCBWFSEJF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
3.01
ALogP
7
HBA
0
HBD
73.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 2, facilitated glucose transporter member 1 CHEMBL2535 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 3 CHEMBL5215 | IC50 | 7.16 | 7.16 | 69.0 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 2 CHEMBL5873 | IC50 | 6.66 | 6.66 | 220.0 | 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 1 | IC50 | = | 39.0 | nM | 7.41 | Inhibition of human GLUT1 expressed in DLD1 cells assessed as ATP production co-... | 26949183 |
| Solute carrier family 2, facilitated glucose transporter member 3 | IC50 | = | 69.0 | nM | 7.16 | Inhibition of human GLUT3 expressed in GLUT1 knock-out DLD1 cells assessed as AT... | 26949183 |
| Solute carrier family 2, facilitated glucose transporter member 2 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of human GLUT2 expressed in CHO cells assessed as ATP production co-i... | 26949183 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26949183 | 10.1016/j.bmcl.2016.02.050 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| 26949183 | 10.1016/j.bmcl.2016.02.050 | Solute carrier family 2, facilitated glucose transporter member 2 | 1 |
| 26949183 | 10.1016/j.bmcl.2016.02.050 | Solute carrier family 2, facilitated glucose transporter member 3 | 1 |
Data from ChEMBL 36 via Core Engine