Compound Detail
CHEMBL5801698
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Cc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(CC(C)C)c3c2CCC3)cc1
Basic Information
| ChEMBL ID | CHEMBL5801698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPTULWONZFXGRE-SEFGFODJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
2.79
ALogP
5
HBA
4
HBD
90.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.72 | 7.72 | 19.1 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 6.29 | 6.29 | 518.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 19.1 | nM | 7.72 | SGLT1/2 in-vitro assay: To analyze a sodium-dependent glucose transport, cells f... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 518.0 | nM | 6.29 | SGLT1/2 in-vitro assay: To analyze a sodium-dependent glucose transport, cells f... | - |
Data from ChEMBL 36 via Core Engine