Compound Detail
CHEMBL5745421
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Cc1cc(O)c([C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)OCCO2
Basic Information
| ChEMBL ID | CHEMBL5745421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPMZPLLIBZDQHJ-BDHVOXNPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
1.29
ALogP
8
HBA
5
HBD
119.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.0 | 7.0 | 99.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 | IC50 | = | 2.59 | nM | 8.59 | Inhibitory Activity Assay: The following method was used to determine the inhibi... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 99.9 | nM | 7.0 | Inhibitory Activity Assay: The following method was used to determine the inhibi... | - |
Data from ChEMBL 36 via Core Engine