Compound Detail
CHEMBL1762498
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Basic Information
| ChEMBL ID | CHEMBL1762498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMHXYWHSCSCKAI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
445.4
MW (Da)
4.71
ALogP
5
HBA
0
HBD
60.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 4.87 | 4.87 | 13600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of [14C]... | 21398124 |
| Sodium/glucose cotransporter 1 | IC50 | = | 13600.0 | nM | 4.87 | Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of [14C]... | 21398124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21398124 | 10.1016/j.bmcl.2011.02.056 | Sodium/glucose cotransporter 2 | 1 |
| 21398124 | 10.1016/j.bmcl.2011.02.056 | Sodium/glucose cotransporter 1 | 1 |
Data from ChEMBL 36 via Core Engine