Compound Detail
CHEMBL1094714
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CCc1ccc(Cc2cc([C@@H]3O[C@]4(CCCO4)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1
Basic Information
| ChEMBL ID | CHEMBL1094714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDOXILQISMHBNE-URYYLNOGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
2.81
ALogP
5
HBA
3
HBD
79.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 53.0 | nM | 7.28 | Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodiu... | 20149653 |
| Sodium/glucose cotransporter 1 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of sodiu... | 20149653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20149653 | 10.1016/j.bmcl.2010.01.075 | Sodium/glucose cotransporter 2 | 1 |
| 20149653 | 10.1016/j.bmcl.2010.01.075 | Sodium/glucose cotransporter 1 | 1 |
Data from ChEMBL 36 via Core Engine