Compound Detail
CHEMBL3654935
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COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)SCC3)cc1
Basic Information
| ChEMBL ID | CHEMBL3654935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEWASPQWMKLPTM-RQXATKFSSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
453.0
MW (Da)
2.10
ALogP
7
HBA
4
HBD
99.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 9.05 | 9.045 | 0.9 | 4 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 7.56 | 7.56 | 27.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 0.9 | nM | 9.05 | SGLT2 Inhibition Assay: For sodium-dependent glucose transport assay, cells expr... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 0.9 | nM | 9.05 | SGLT2 Inhibition Assay: For sodium-dependent glucose transport assay, cells expr... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 0.902 | nM | 9.04 | Inhibition Assay: For sodium-dependent glucose transport assay, cells expressing... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 0.902 | nM | 9.04 | Inhibition Assay: For sodium-dependent glucose transport assay, cells expressing... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 27.6 | nM | 7.56 | SGLT1 Inhibition Assay: For sodium-dependent glucose transport assay, cells expr... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 27.6 | nM | 7.56 | SGLT1 Inhibition Assay: For sodium-dependent glucose transport assay, cells expr... | - |
Data from ChEMBL 36 via Core Engine