Compound Detail
CHEMBL3288747
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
COc1ccn2c(=O)n(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)nc2c1
Basic Information
| ChEMBL ID | CHEMBL3288747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCCCUVSINKKKFW-FTWQHDNSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
451.9
MW (Da)
-0.28
ALogP
10
HBA
4
HBD
138.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 5.26 | 5.26 | 5478.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 5478.0 | nM | 5.26 | Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of [14... | 24842618 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24842618 | 10.1016/j.bmc.2014.04.036 | Sodium/glucose cotransporter 2 | 1 |
| 24842618 | 10.1016/j.bmc.2014.04.036 | Sodium/glucose cotransporter 1 | 1 |
Data from ChEMBL 36 via Core Engine