Compound Detail
CHEMBL3703936
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CCCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)OCC3)cc1
Basic Information
| ChEMBL ID | CHEMBL3703936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCIYUZFBWXOOKH-YVTYUBGGSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
448.9
MW (Da)
2.33
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.93 | 8.93 | 1.2 | 3 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.86 | 5.86 | 1368.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 1.17 | nM | 8.93 | Inhibition Assay: For sodium-dependent glucose transport assay, cells expressing... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 1.17 | nM | 8.93 | Inhibition of human SGLT2 expressed in CHO cells by methyl-alpha-D-glucopyranosi... | 34813882 |
| Sodium/glucose cotransporter 2 | IC50 | = | 1.17 | nM | 8.93 | Inhibition Assay: For sodium-dependent glucose transport assay, cells expressing... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 1368.0 | nM | 5.86 | Inhibition of human SGLT1 expressed in CHO cells by methyl-alpha-D-glucopyranosi... | 34813882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34813882 | 10.1016/j.bmcl.2021.128466 | Sodium/glucose cotransporter 2 | 1 |
| 34813882 | 10.1016/j.bmcl.2021.128466 | Sodium/glucose cotransporter 1 | 1 |
| 34813882 | 10.1016/j.bmcl.2021.128466 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine