Compound Detail
CHEMBL5881971
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CSc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(C)c3c2CCC3)cc1
Basic Information
| ChEMBL ID | CHEMBL5881971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLXYLXLUZZIICA-SJSRKZJXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
2.31
ALogP
6
HBA
4
HBD
90.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 1.2 | nM | 8.92 | SGLT1/2 in-vitro assay: To analyze a sodium-dependent glucose transport, cells f... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 15.0 | nM | 7.82 | SGLT1/2 in-vitro assay: To analyze a sodium-dependent glucose transport, cells f... | - |
Data from ChEMBL 36 via Core Engine