Compound Detail
CHEMBL3958686
REMOGLIFLOZIN Enter ChEMBL ID:
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Cc1c(Cc2ccc(OC(C)C)cc2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1C(C)C
Basic Information
| ChEMBL ID | CHEMBL3958686 |
| Name | REMOGLIFLOZIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSINGUMRKGRYJP-VZWAGXQNSA-N |
2
Targets
7
Activities
3
Assay Types
5
PK Parameters
9
Publications
2
Known Names
Molecular Properties
450.5
MW (Da)
1.33
ALogP
9
HBA
4
HBD
126.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Single Enantiomer |
Activity Summary
IC50 5 meas. best 7.74
EC50 1 meas. best 7.85
Ki 1 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | Ki | 7.91 | 7.91 | 12.4 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | EC50 | 7.85 | 7.85 | 14.0 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 7.74 | 7.3033 | 18.4 | 3 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 4.78 | 4.78 | 16600.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 27.95 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 50.08 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 3.9 | mL.min-1.g-1 | Mus musculus |
| CL | 0.85 | mL.min-1.g-1 | Homo sapiens |
| F | 3.23 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | Ki | = | 12.4 | nM | 7.91 | Inhibition of human kidney SGLT2 assessed as renal glucose reabsorption | 19243175 |
| Sodium/glucose cotransporter 2 | EC50 | = | 14.0 | nM | 7.85 | Inhibition of human kidney SGLT2 assessed as renal glucose reabsorption | 19243175 |
| Sodium/glucose cotransporter 2 | IC50 | = | 18.4 | nM | 7.74 | Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in [14C]... | 33581390 |
| Sodium/glucose cotransporter 2 | IC50 | = | 18.4 | nM | 7.74 | Inhibition of human SGLT2 expressed in COS-7 cells | 35924548 |
| Sodium/glucose cotransporter 2 | IC50 | = | 369.0 | nM | 6.43 | Inhibition of human SGLT2 expressed in COS7 cells assessed as reduction in uptak... | - |
| Sodium/glucose cotransporter 1 | IC50 | = | 16600.0 | nM | 4.78 | Inhibition of human SGLT1 expressed in COS7 cells assessed as reduction in [14C]... | 33581390 |
| Sodium/glucose cotransporter 1 | IC50 | = | 16600.0 | nM | 4.78 | Inhibition of human SGLT1 expressed in COS-7 cells | 35924548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33581390 | 10.1016/j.bmc.2021.116033 | ADMET | 7 |
| 19243175 | 10.1021/jm8013019 | Sodium/glucose cotransporter 2 | 2 |
| 35924548 | 10.1021/acs.jmedchem.2c00867 | Unchecked | 2 |
| 19243175 | 10.1021/jm8013019 | Unchecked | 1 |
| 33581390 | 10.1016/j.bmc.2021.116033 | Sodium/glucose cotransporter 2 | 1 |
| 33581390 | 10.1016/j.bmc.2021.116033 | Sodium/glucose cotransporter 1 | 1 |
| 33581390 | 10.1016/j.bmc.2021.116033 | Unchecked | 1 |
| 35924548 | 10.1021/acs.jmedchem.2c00867 | Sodium/glucose cotransporter 1 | 1 |
| 35924548 | 10.1021/acs.jmedchem.2c00867 | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine