Compound Detail
CHEMBL1830872
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
CCCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)sc2Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL1830872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXWRZJVPUCHOTL-FTWQHDNSSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
428.9
MW (Da)
2.30
ALogP
7
HBA
4
HBD
99.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.19 | 7.19 | 65.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 65.0 | nM | 7.19 | Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]-alpha-methyl-... | 21906953 |
| Sodium/glucose cotransporter 2 | IC50 | = | 65.0 | nM | 7.19 | In Vitro Assay: For sodium-dependent glucose transport assay, cells expressing h... | - |
| Sodium/glucose cotransporter 2 | IC50 | = | 65.0 | nM | 7.19 | In Vitro Assay: For sodium-dependent glucose transport assay, cells expressing h... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21906953 | 10.1016/j.bmc.2011.08.014 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine