Compound Detail
CHEMBL2147777
TENELIGLIPTIN 💊 Approved Drug
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💊 Approved Drug
Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1
Basic Information
| ChEMBL ID | CHEMBL2147777 |
| Name | TENELIGLIPTIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | WGRQANOPCQRCME-PMACEKPBSA-N |
4
Targets
6
Activities
2
Assay Types
1
PK Parameters
20
Publications
4
Known Names
2
Indications
1
Mechanisms
Molecular Properties
426.6
MW (Da)
1.57
ALogP
7
HBA
1
HBD
56.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2012 |
| Availability | Unknown |
| 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
ATC Classification
A10BH08
teneligliptin
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS USED IN DIABETES
Activity Summary
IC50 4 meas. best 9.54
Kd 2 meas. best 9.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL4653 | IC50 | 9.54 | 9.54 | 0.3 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 9.43 | 9.43 | 0.4 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | Kd | 9.39 | 8.655 | 0.4 | 2 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 26.9 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 0.29 | nM | 9.54 | Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by... | 22959556 |
| Dipeptidyl peptidase 4 | IC50 | = | 0.37 | nM | 9.43 | Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins ... | 22959556 |
| Dipeptidyl peptidase 4 | Kd | = | 0.41 | nM | 9.39 | Binding affinity to human recombinant DPP4 (39 to 766 residues) by surface plasm... | 27438064 |
| Dipeptidyl peptidase 4 | Kd | = | 11.9 | nM | 7.92 | Binding affinity to human recombinant DPP4 (39 to 766 residues) at 5 uM by isoth... | 27438064 |
| Dipeptidyl peptidase 8 | IC50 | = | 260.0 | nM | 6.58 | Inhibition of human DPP8 using GLY-Pro-MCA as substrate after 30 mins by cell-ba... | 22959556 |
| Dipeptidyl peptidase 9 | IC50 | = | 540.0 | nM | 6.27 | Inhibition of human DPP9 using GLY-Pro-MCA as substrate after 30 mins by cell-ba... | 22959556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27438064 | 10.1021/acs.jmedchem.6b00475 | Dipeptidyl peptidase 4 | 7 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 2 |
| 22959556 | 10.1016/j.bmc.2012.08.012 | Dipeptidyl peptidase 4 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Nuclear receptor subfamily 1 group I member 2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Estrogen receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Glucocorticoid receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Peroxisome proliferator-activated receptor gamma | 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 | Alpha-2A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Progesterone receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 2 |
| 22959556 | 10.1016/j.bmc.2012.08.012 | Unchecked | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine