Compound Detail
CHEMBL1808386
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C=CCOCCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL1808386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBEFRCFOWSYZHX-SJSRKZJXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
464.9
MW (Da)
2.03
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.31
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of human SGLT2 expressed in african green monkey COS7 cells assessed ... | 21737266 |
| Sodium/glucose cotransporter 1 | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of human SGLT1 expressed in human 293 cells assessed as inhibition of... | 21737266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21737266 | 10.1016/j.bmcl.2011.06.032 | Unchecked | 1 |
| 21737266 | 10.1016/j.bmcl.2011.06.032 | Sodium/glucose cotransporter 1 | 1 |
| 21737266 | 10.1016/j.bmcl.2011.06.032 | Sodium/glucose cotransporter 2 | 1 |
| 21737266 | 10.1016/j.bmcl.2011.06.032 | Rattus norvegicus | 1 |
| 21737266 | 10.1016/j.bmcl.2011.06.032 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine