Compound Detail
CHEMBL3781149
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Basic Information
| ChEMBL ID | CHEMBL3781149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQYWHYXGIIUVRF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
2.85
ALogP
7
HBA
1
HBD
70.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 2, facilitated glucose transporter member 1 CHEMBL2535 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 3 CHEMBL5215 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 2 CHEMBL5873 | IC50 | 7.22 | 7.22 | 60.0 | 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 | = | 7.0 | nM | 8.15 | Inhibition of human GLUT1 expressed in DLD1 cells assessed as ATP production co-... | 26949183 |
| Solute carrier family 2, facilitated glucose transporter member 2 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of human GLUT2 expressed in CHO cells assessed as ATP production co-i... | 26949183 |
| Solute carrier family 2, facilitated glucose transporter member 3 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of human GLUT3 expressed in GLUT1 knock-out DLD1 cells assessed as AT... | 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