Compound Detail
CHEMBL2323695
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Cc1cc(CCCC(=O)NC(C)(C)C(=O)N2CCNCC2)ccc1Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)n[nH]c1C(C)C
Basic Information
| ChEMBL ID | CHEMBL2323695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZIRWWOSGYBPSU-RHBSMATHSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
631.8
MW (Da)
0.26
ALogP
10
HBA
7
HBD
189.5
PSA (Ų)
0.17
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL5374 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 6.43 | 6.43 | 371.0 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL4316 | IC50 | 5.94 | 5.94 | 1160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 1 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of human SGLT1 expressed in COS7 cells assessed as inhibition [14C]-A... | 23273606 |
| Sodium/glucose cotransporter 1 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of rat SGLT1 | 23273606 |
| Sodium/glucose cotransporter 2 | IC50 | = | 371.0 | nM | 6.43 | Inhibition of human SGLT2 expressed in COS7 cells assessed as inhibition [14C]-A... | 23273606 |
| Sodium/glucose cotransporter 2 | IC50 | = | 1160.0 | nM | 5.94 | Inhibition of rat SGLT2 | 23273606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23273606 | 10.1016/j.bmc.2012.11.041 | Rattus norvegicus | 2 |
| 23273606 | 10.1016/j.bmc.2012.11.041 | ADMET | 2 |
| 23273606 | 10.1016/j.bmc.2012.11.041 | Unchecked | 2 |
| 23273606 | 10.1016/j.bmc.2012.11.041 | Sodium/glucose cotransporter 2 | 2 |
| 23273606 | 10.1016/j.bmc.2012.11.041 | Sodium/glucose cotransporter 1 | 2 |
Data from ChEMBL 36 via Core Engine