Compound Detail
CHEMBL3125148
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CCOC(=O)c1nnn(-c2ccc3c(c2)oc2ccccc23)c1[C@H](O)[C@@H](O)[C@H](C)O
Basic Information
| ChEMBL ID | CHEMBL3125148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQQDMBSDXXVTFN-JSKJEHKMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
2.12
ALogP
9
HBA
3
HBD
130.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 6.36 | 6.36 | 434.1 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 6.34 | 6.34 | 458.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 | IC50 | = | 434.1 | nM | 6.36 | Inhibition of SGLT1 (unknown origin) expressed in HEK293 cells using 2-NBDG as s... | 24556379 |
| Sodium/glucose cotransporter 2 | IC50 | = | 458.0 | nM | 6.34 | Inhibition of SGLT2 (unknown origin) expressed in HEK293 cells using 2-NBDG as s... | 24556379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24556379 | 10.1016/j.bmcl.2014.01.077 | Unchecked | 1 |
| 24556379 | 10.1016/j.bmcl.2014.01.077 | Sodium/glucose cotransporter 1 | 1 |
| 24556379 | 10.1016/j.bmcl.2014.01.077 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine