Compound Detail
CHEMBL2107830
EMPAGLIFLOZIN 💊 Approved Drug
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💊 Approved Drug
OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2107830 |
| Name | EMPAGLIFLOZIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | OBWASQILIWPZMG-QZMOQZSNSA-N |
| Therapeutic | ✓ Yes |
3
Targets
12
Activities
2
Assay Types
1
PK Parameters
20
Publications
10
Known Names
20
Indications
1
Mechanisms
Molecular Properties
450.9
MW (Da)
1.61
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2014 |
| Availability | Prescription |
| 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 2 Heart Failure Renal Insufficiency, Chronic Cardiotoxicity Diabetes Mellitus, Type 1 Diabetes, Gestational Diabetic Nephropathies Insulin Resistance Metabolic Syndrome Myocardial Infarction Myocardial Infarction Non-alcoholic Fatty Liver Disease Severe Acute Respiratory Syndrome Shock Ascites Colitis, Ulcerative Depressive Disorder, Major Familial Primary Pulmonary Hypertension Glycogen Storage Disease Type I
ATC Classification
A10BK03
empagliflozin
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS USED IN DIABETES
Activity Summary
IC50 9 meas. best 8.51
EC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/glucose cotransporter 2 CHEMBL3884 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| A549 CHEMBL392 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Sodium/glucose cotransporter 2 CHEMBL3884 | IC50 | 8.51 | 8.51 | 3.1 | 6 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | IC50 | 5.49 | 5.3533 | 3235.0 | 3 |
| Sodium/glucose cotransporter 1 CHEMBL4979 | EC50 | 5.08 | 5.08 | 8300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37608596 | 10.1021/acs.jmedchem.3c01138 | Mus musculus | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| 31325786 | 10.1016/j.ejmech.2019.07.032 | Sodium/glucose cotransporter 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent dopamine transporter | 1 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Estrogen receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Acetylcholinesterase | 1 |
| 30151080 | 10.1039/C8MD00183A | Sodium/glucose cotransporter 2 | 1 |
Data from ChEMBL 36 via Core Engine