Compound Detail
CHEMBL3654931
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
COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2C(F)F)CCC3)cc1
Basic Information
| ChEMBL ID | CHEMBL3654931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAKDEPKSRUKKMY-IFPLKCGESA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
2.23
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 9.14 | 9.135 | 0.7 | 4 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 7.78 | 7.78 | 16.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 0.73 | nM | 9.14 | SGLT2 Inhibition Assay: For sodium-dependent glucose transport assay, cells expr... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 0.73 | nM | 9.14 | SGLT2 Inhibition Assay: For sodium-dependent glucose transport assay, cells expr... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 0.734 | nM | 9.13 | Inhibition Assay: For sodium-dependent glucose transport assay, cells expressing... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 0.734 | nM | 9.13 | Inhibition Assay: For sodium-dependent glucose transport assay, cells expressing... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 16.5 | nM | 7.78 | SGLT1 Inhibition Assay: For sodium-dependent glucose transport assay, cells expr... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 16.5 | nM | 7.78 | SGLT1 Inhibition Assay: For sodium-dependent glucose transport assay, cells expr... | - |
Data from ChEMBL 36 via Core Engine