Compound Detail
CHEMBL3703874
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OC[C@H]1O[C@@H](c2cc(Cc3ccc(C4CC4)cc3)c(Cl)c3c2OCC3)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3703874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEXJMTJCZDUCHC-YVTYUBGGSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
446.9
MW (Da)
2.26
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.96 | 8.96 | 1.1 | 4 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 7.28 | 7.28 | 52.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 1.09 | nM | 8.96 | Inhibition Assay: For sodium-dependent glucose transport assay, cells expressing... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 1.1 | nM | 8.96 | SGLT2 Inhibition Assay: For sodium-dependent glucose transport assay, cells expr... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 1.09 | nM | 8.96 | Inhibition Assay: For sodium-dependent glucose transport assay, cells expressing... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 1.1 | nM | 8.96 | SGLT2 Inhibition Assay: For sodium-dependent glucose transport assay, cells expr... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 52.2 | nM | 7.28 | SGLT1 Inhibition Assay: For sodium-dependent glucose transport assay, cells expr... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 52.2 | nM | 7.28 | SGLT1 Inhibition Assay: For sodium-dependent glucose transport assay, cells expr... | - |
Data from ChEMBL 36 via Core Engine