Compound Detail
CHEMBL5864663
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCc1ccc([C@]23OC[C@](CO)(O2)[C@@H](O)[C@H](O)[C@H]3O)cc1Cc1ccc2c(c1)OCCO2
Basic Information
| ChEMBL ID | CHEMBL5864663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVLXIHIRMFEGEH-GIDFYXQGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
1.03
ALogP
8
HBA
4
HBD
117.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.76 | 7.76 | 17.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 | IC50 | = | 1.82 | nM | 8.74 | Inhibitory Activity Assay: The following method was used to determine the inhibi... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 17.2 | nM | 7.76 | Inhibitory Activity Assay: The following method was used to determine the inhibi... | - |
Data from ChEMBL 36 via Core Engine