Compound Detail
CHEMBL5864181
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OC[C@H]1S[C@@H](c2ccc(C3CC3)c(Cc3ccc4c(c3)OCCO4)c2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL5864181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHRIIRYVXUYDPC-SJSRKZJXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
2.16
ALogP
7
HBA
4
HBD
99.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 6.52 | 6.52 | 301.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 | IC50 | = | 4.3 | nM | 8.37 | Inhibitory Activity Assay: The following method was used to determine the inhibi... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 301.0 | nM | 6.52 | Inhibitory Activity Assay: The following method was used to determine the inhibi... | - |
Data from ChEMBL 36 via Core Engine