Compound Detail
CHEMBL4089982
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COc1ccc(CC(=O)N[C@@H](Cc2ccccc2Br)C(=O)N[C@@H](C)c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4089982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFUNKFOMZPXBEZ-UUOWRZLLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
495.4
MW (Da)
4.61
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 2, facilitated glucose transporter member 4 CHEMBL5874 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 1 CHEMBL2535 | IC50 | 6.85 | 6.85 | 140.0 | 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 | = | 90.0 | nM | 7.05 | Inhibition of human GLUT4 expressed in CHO cells assessed as reduction in glucos... | 28042452 |
| Solute carrier family 2, facilitated glucose transporter member 1 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of human GLUT1 expressed in human DLD1 cells assessed as reduction in... | 28042452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28042452 | 10.1039/C6MD00287K | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| 28042452 | 10.1039/C6MD00287K | Solute carrier family 2, facilitated glucose transporter member 4 | 1 |
Data from ChEMBL 36 via Core Engine