Compound Detail
CHEMBL2110731
TOFOGLIFLOZIN ANHYDROUS 💊 Approved Drug
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💊 Approved Drug
CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Basic Information
| ChEMBL ID | CHEMBL2110731 |
| Name | TOFOGLIFLOZIN ANHYDROUS |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | VWVKUNOPTJGDOB-BDHVOXNPSA-N |
2
Targets
5
Activities
1
Assay Types
16
PK Parameters
15
Publications
5
Known Names
Molecular Properties
386.4
MW (Da)
1.00
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2014 |
| Availability | Unknown |
| Chirality | Single Enantiomer |
Activity Summary
IC50 5 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.54 | 8.4933 | 2.9 | 3 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.07 | 5.07 | 8444.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2740.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 4030.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 4750.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 3980.0 | ng.hr.mL-1 | Mus musculus |
| CL | 5.933 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 10.57 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 3493.43 | nM | Mus musculus |
| Cmax | 2406.58 | nM | Macaca fascicularis |
| F | 85.0 | % | Macaca fascicularis |
| F | 75.0 | % | Mus musculus |
| T1/2 | 3.54 | hr | Macaca fascicularis |
| T1/2 | 3.72 | hr | Macaca fascicularis |
| T1/2 | 2.66 | hr | Mus musculus |
| T1/2 | 2.57 | hr | Mus musculus |
| Tmax | 2.0 | hr | Macaca fascicularis |
| Tmax | 0.63 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | IC50 | = | 2.9 | nM | 8.54 | Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of sodiu... | 22889351 |
| Sodium/glucose cotransporter 2 | IC50 | = | 2.9 | nM | 8.54 | Inhibition of human SGLT2 | 31630053 |
| Sodium/glucose cotransporter 2 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of SGLT2 (unknown origin) | 29954682 |
| Sodium/glucose cotransporter 1 | IC50 | = | 8444.0 | nM | 5.07 | Inhibition of human SGLT1 expressed in CHO cells assessed as inhibition of sodiu... | 22889351 |
| Sodium/glucose cotransporter 1 | IC50 | = | 8444.0 | nM | 5.07 | Inhibition of human SGLT1 | 31630053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22889351 | 10.1021/jm300884k | Mus musculus | 13 |
| 22889351 | 10.1021/jm300884k | Cynomolgus monkey | 10 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 31630053 | 10.1016/j.ejmech.2019.111773 | Homo sapiens | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 22889351 | 10.1021/jm300884k | Unchecked | 1 |
| 22889351 | 10.1021/jm300884k | Sodium/glucose cotransporter 1 | 1 |
| 22889351 | 10.1021/jm300884k | Sodium/glucose cotransporter 2 | 1 |
| 29954682 | 10.1016/j.bmc.2018.06.017 | Sodium/glucose cotransporter 2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 31630053 | 10.1016/j.ejmech.2019.111773 | Sodium/glucose cotransporter 1 | 1 |
| 31630053 | 10.1016/j.ejmech.2019.111773 | Sodium/glucose cotransporter 2 | 1 |
| 31630053 | 10.1016/j.ejmech.2019.111773 | ADMET | 1 |
| 31630053 | 10.1016/j.ejmech.2019.111773 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine