Compound Detail
CHEMBL237500
LINAGLIPTIN 💊 Approved Drug
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💊 Approved Drug
CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
Basic Information
| ChEMBL ID | CHEMBL237500 |
| Name | LINAGLIPTIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | LTXREWYXXSTFRX-QGZVFWFLSA-N |
| Therapeutic | ✓ Yes |
10
Targets
45
Activities
3
Assay Types
16
PK Parameters
20
Publications
17
Known Names
11
Indications
1
Mechanisms
Molecular Properties
472.6
MW (Da)
1.15
ALogP
10
HBA
1
HBD
116.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2011 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Dipeptidyl peptidase IV inhibitor | INHIBITOR | Dipeptidyl peptidase 4 | ✓ | ✓ |
Indications
Diabetes Mellitus Diabetes Mellitus, Type 2 Respiratory Tract Diseases Severe Acute Respiratory Syndrome Adenocarcinoma Carcinoma, Non-Small-Cell Lung Esophageal Neoplasms Hypertension Renal Insufficiency Schizophrenia Stomach Neoplasms
ATC Classification
A10BH05
linagliptin
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS USED IN DIABETES
Activity Summary
IC50 42 meas. best 10.0
Kd 2 meas. best 8.28
EC50 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 10.0 | 9.0973 | 0.1 | 26 |
| Dipeptidyl peptidase 4 CHEMBL3883 | IC50 | 9.92 | 9.92 | 0.1 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | EC50 | 8.51 | 8.51 | 3.1 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | Kd | 8.28 | 8.28 | 5.3 | 1 |
| Prolyl endopeptidase FAP CHEMBL4683 | IC50 | 7.15 | 6.92 | 70.8 | 4 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 6.53 | 6.5267 | 295.0 | 3 |
| Prolyl endopeptidase FAP CHEMBL5769 | IC50 | 6.43 | 6.43 | 370.0 | 2 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| POU domain, class 2, transcription factor 1 CHEMBL3509601 | IC50 | 4.39 | 4.37 | 41000.0 | 2 |
| ADMET CHEMBL612558 | IC50 | 4.18 | 4.18 | 66100.0 | 1 |
| POU domain, class 2, transcription factor 2 CHEMBL3509582 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 87.42 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 37.3 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 15.8 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 34.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 2.7 | % | Mus musculus |
| CL | 24.2 | % | Mus musculus |
| Cmax | 21.0 | nM | Rattus norvegicus |
| Cmax | 10.0 | nM | Homo sapiens |
| F | 50.7 | % | Rattus norvegicus |
| F | 50.1 | % | Macaca fascicularis |
| F | 9.0 | % | Rattus norvegicus |
| MRT | 14.3 | hr | Rattus norvegicus |
| MRT | 17.4 | hr | Macaca fascicularis |
| T1/2 | 35.9 | hr | Rattus norvegicus |
| T1/2 | 41.4 | hr | Macaca fascicularis |
| T1/2 | 10.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine