Compound Detail
CHEMBL1092274
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CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2O)cc1
Basic Information
| ChEMBL ID | CHEMBL1092274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEFWITBOOMNVKL-ADAARDCZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
1.61
ALogP
7
HBA
5
HBD
110.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 6.55 | 6.55 | 283.0 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 4.84 | 4.84 | 14600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 283.0 | nM | 6.55 | Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glu... | 20302302 |
| Sodium/glucose cotransporter 1 | IC50 | = | 14600.0 | nM | 4.84 | Inhibition of human SGLT1 expressed in CHOK1 cells assessed as inhibition of glu... | 20302302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20302302 | 10.1021/jm901893x | Unchecked | 1 |
| 20302302 | 10.1021/jm901893x | Sodium/glucose cotransporter 1 | 1 |
| 20302302 | 10.1021/jm901893x | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine