Compound Detail
CHEMBL3660004
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Cn1cc(O)n(-c2ccc(Cc3cc(C4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)c1=O
Basic Information
| ChEMBL ID | CHEMBL3660004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAXMQUVCQIAQIZ-JQQDRUSQSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
476.9
MW (Da)
0.64
ALogP
9
HBA
5
HBD
137.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 7.08 | 7.08 | 83.0 | 2 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 6.83 | 6.83 | 148.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 | IC50 | = | 83.0 | nM | 7.08 | In Vitro Assay: The inhibitory activity of the compounds of this invention again... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 83.0 | nM | 7.08 | In Vitro Assay: The inhibitory activity of the compounds of this invention again... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 148.0 | nM | 6.83 | In Vitro Assay: The inhibitory activity of the compounds of this invention again... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 148.0 | nM | 6.83 | In Vitro Assay: The inhibitory activity of the compounds of this invention again... | - |
Data from ChEMBL 36 via Core Engine