Compound Detail
CHEMBL383266
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OC[C@H]1O[C@@H](Oc2cccc3[nH]cc(Cc4ccc(-c5ccsc5)cc4)c23)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL383266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJEODDZMVLCHPR-PRDVQWLOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
2.67
ALogP
7
HBA
5
HBD
115.2
PSA (Ų)
0.30
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.65 | 5.65 | 2240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 50.0 | nM | 7.3 | Inhibitory activity against SGLT2 expressed in CHO-K1 cells | 16380256 |
| Sodium/glucose cotransporter 1 | IC50 | = | 2240.0 | nM | 5.65 | Inhibitory activity against SGLT1 expressed in CHO-K1 cells | 16380256 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16380256 | 10.1016/j.bmcl.2005.12.006 | Sodium/glucose cotransporter 2 | 1 |
| 16380256 | 10.1016/j.bmcl.2005.12.006 | Sodium/glucose cotransporter 1 | 1 |
Data from ChEMBL 36 via Core Engine