Compound Detail
CHEMBL5843564
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OC[C@H]1S[C@@H](c2cc3c(c(Cc4ccc5c(c4)OCCO5)c2)OCC3)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL5843564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBOZVBPDRWQWNW-VZWAGXQNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
1.22
ALogP
8
HBA
4
HBD
108.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 7.7 | 7.7 | 19.8 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 5.59 | 5.59 | 2559.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 | IC50 | = | 19.8 | nM | 7.7 | Inhibitory Activity Assay: The following method was used to determine the inhibi... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 2559.0 | nM | 5.59 | Inhibitory Activity Assay: The following method was used to determine the inhibi... | - |
Data from ChEMBL 36 via Core Engine