Compound Detail
CHEMBL1213857
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
Cc1ccc(Cc2sc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nc2Br)cc1
Basic Information
| ChEMBL ID | CHEMBL1213857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNODIHQPDREJOA-TVKJYDDYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
430.3
MW (Da)
1.32
ALogP
7
HBA
4
HBD
103.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 5.98 | 5.98 | 1050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 1050.0 | nM | 5.98 | Inhibition of human SGLT2 | 20637636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20637636 | 10.1016/j.bmc.2010.06.076 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine