Compound Detail
CHEMBL3654337
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
CC(C)(C)OC(=O)N1CC(COc2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL3654337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDAYPZNILNASKX-RTJMFUJLSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
550.0
MW (Da)
2.69
ALogP
8
HBA
4
HBD
128.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.54 | 7.54 | 28.7 | 2 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.56 | 5.56 | 2755.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 28.7 | nM | 7.54 | Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 28.7 | nM | 7.54 | Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 2755.0 | nM | 5.56 | Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 2755.0 | nM | 5.56 | Uptake Assay: A cDNA clone expressing human SGLT1/SGLT2 was bought from GenerScr... | - |
Data from ChEMBL 36 via Core Engine