Compound Detail
CHEMBL2323693
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CC(C)c1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(CCCC(=O)NC(C)(C)C(N)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL2323693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNOKUSLJTWEVSJ-FLYQRFDZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
548.6
MW (Da)
0.01
ALogP
9
HBA
7
HBD
200.2
PSA (Ų)
0.19
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 | IC50 | = | 45.0 | nM | 7.35 | Inhibition of human SGLT1 expressed in COS7 cells assessed as inhibition [14C]-A... | 23273606 |
| Sodium/glucose cotransporter 2 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of human SGLT2 expressed in COS7 cells assessed as inhibition [14C]-A... | 23273606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23273606 | 10.1016/j.bmc.2012.11.041 | Caco-2 | 1 |
| 23273606 | 10.1016/j.bmc.2012.11.041 | Unchecked | 1 |
| 23273606 | 10.1016/j.bmc.2012.11.041 | Sodium/glucose cotransporter 2 | 1 |
| 23273606 | 10.1016/j.bmc.2012.11.041 | Sodium/glucose cotransporter 1 | 1 |
Data from ChEMBL 36 via Core Engine