Compound Detail
CHEMBL3900525
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CCOc1ccc(Cc2cc(C34OC[C@@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1F
Basic Information
| ChEMBL ID | CHEMBL3900525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYTPDMFFHVZBOR-ZEMVHIBLSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.9
MW (Da)
1.50
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL1075302 | IC50 | 8.48 | 8.28 | 3.3 | 3 |
| SGLT1 protein CHEMBL1744523 | IC50 | 5.91 | 5.6467 | 1220.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 3.31 | nM | 8.48 | Inhibition Assay: Inhibitory activity of the compounds using SGLT1 and SGLT2. | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 6.35 | nM | 8.2 | Inhibition Assay: Inhibitory activity of the compounds using SGLT1 and SGLT2. | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 6.92 | nM | 8.16 | Inhibition Assay: Inhibitory activity of the compounds using SGLT1 and SGLT2. | - |
| SGLT1 protein | IC50 | = | 1220.0 | nM | 5.91 | Inhibition Assay: Inhibitory activity of the compounds using SGLT1 and SGLT2. | - |
| SGLT1 protein | IC50 | = | 2600.0 | nM | 5.58 | Inhibition Assay: Inhibitory activity of the compounds using SGLT1 and SGLT2. | - |
| SGLT1 protein | IC50 | = | 3550.0 | nM | 5.45 | Inhibition Assay: Inhibitory activity of the compounds using SGLT1 and SGLT2. | - |
Data from ChEMBL 36 via Core Engine