Compound Detail
CHEMBL2018096
IPRAGLIFLOZIN 💊 Approved Drug
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💊 Approved Drug
OC[C@H]1O[C@@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2018096 |
| Name | IPRAGLIFLOZIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | AHFWIQIYAXSLBA-RQXATKFSSA-N |
2
Targets
7
Activities
2
Assay Types
10
PK Parameters
20
Publications
4
Known Names
3
Indications
1
Mechanisms
Molecular Properties
404.5
MW (Da)
2.15
ALogP
6
HBA
4
HBD
90.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2014 |
| Availability | Unknown |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Sodium/glucose cotransporter 2 inhibitor | INHIBITOR | Sodium/glucose cotransporter 2 | ✓ | ✓ |
Indications
Diabetes Mellitus Diabetes Mellitus, Type 1 Diabetes Mellitus, Type 2
ATC Classification
A10BK05
ipragliflozin
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS USED IN DIABETES
Activity Summary
IC50 5 meas. best 8.13
EC50 2 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | EC50 | 8.13 | 8.13 | 7.4 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.13 | 8.1175 | 7.4 | 4 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.73 | 5.73 | 1876.0 | 1 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 686.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1638.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 692.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1654.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 7.167 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 818.38 | nM | Rattus norvegicus |
| F | 71.7 | % | Rattus norvegicus |
| T1/2 | 3.85 | hr | Rattus norvegicus |
| T1/2 | 3.61 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 | EC50 | = | 7.4 | nM | 8.13 | Inhibition of SGLT2 (unknown origin) | 31930920 |
| Sodium/glucose cotransporter 2 | IC50 | = | 7.4 | nM | 8.13 | Inhibition of human SGLT2 expressed in CHO cells assessed as [14C]AMG accumulati... | 22507206 |
| Sodium/glucose cotransporter 2 | IC50 | = | 7.4 | nM | 8.13 | Inhibition of recombinant human full-length SGLT2 expressed in CHO cells assesse... | 30151080 |
| Sodium/glucose cotransporter 2 | IC50 | = | 7.38 | nM | 8.13 | Inhibition of human SGLT2 | 31630053 |
| Sodium/glucose cotransporter 2 | IC50 | = | 8.4 | nM | 8.08 | Inhibition of SGLT2 (unknown origin) | 29954682 |
| Sodium/glucose cotransporter 1 | IC50 | = | 1876.0 | nM | 5.73 | Inhibition of human SGLT1 | 31630053 |
| Sodium/glucose cotransporter 1 | EC50 | = | 1900.0 | nM | 5.72 | Inhibition of SGLT1 (unknown origin) | 31930920 |
Literature References
Data from ChEMBL 36 via Core Engine