Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1650443

TRELAGLIPTIN
💊 Approved Drug
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
💊 Approved Drug
Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1650443
Name TRELAGLIPTIN
Phase Approved
Structure Type MOL
InChI Key IWYJYHUNXVAVAA-OAHLLOKOSA-N

Known Names

SYR-472 Trelagliptin Trelagliptina Trelagliptine
1
Targets
7
Activities
2
Assay Types
13
PK Parameters
20
Publications
4
Known Names
1
Indications

Molecular Properties

357.4
MW (Da)
0.53
ALogP
7
HBA
1
HBD
97.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2015
Availability Unknown
Chirality Single Enantiomer

Routes of Administration

Oral
USAN Stem -gliptin
USAN Year 2011

Extended Properties

Molecular Formula C18H20FN5O2
MW 357.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.59

Indications

Diabetes Mellitus, Type 2

Activity Summary

IC50 5 meas. best 8.89
Ki 2 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
 IC50 8.89 8.66 1.3 5
Dipeptidyl peptidase 4
CHEMBL284
 Ki 8.82 8.555 1.5 2

Pharmacokinetic Data

Parameter Value Units Species
AUC 6820.0 ng.hr.mL-1 Rattus norvegicus
CL 127.67 mL.min-1.kg-1 Rattus norvegicus
F 46.9 % Rattus norvegicus
T1/2 3.333 hr Homo sapiens
T1/2 3.333 hr Rattus norvegicus
T1/2 0.5 hr Homo sapiens
T1/2 3.333 hr Rattus norvegicus
T1/2 3.333 hr Homo sapiens
T1/2 5.13 hr Rattus norvegicus
T1/2 38.44 hr Homo sapiens
T1/2 0.5 hr Homo sapiens
T1/2 0.4833 hr Homo sapiens
Tmax 0.7 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 1.3 nM 8.89 Inhibition of human recombinant DPP4 using Gly-Pro-7-amido-4-methyl-coumarin as ... 28421763
Dipeptidyl peptidase 4 IC50 = 1.3 nM 8.89 Inhibition of human recombinant DPP-4 in Caco-2 cells using GP-AMC as substrate ... 37647598
Dipeptidyl peptidase 4 IC50 = 1.43 nM 8.85 Inhibition of human DPP4 using Gly-Pro-AMC as substrate preincubated for 10 mins... 29078995
Dipeptidyl peptidase 4 Ki = 1.5 nM 8.82 Binding affinity to human DPP-4 expressed in human Caco-2 cells using GP-pNA as ... 37647598
Dipeptidyl peptidase 4 IC50 = 4.0 nM 8.4 Inhibition of human DPP4 21186796
Dipeptidyl peptidase 4 Ki = 5.1 nM 8.29 Competitive inhibition of human DPP4 using Gly-Pro-AMC as substrate preincubated... 29078995
Dipeptidyl peptidase 4 IC50 = 5.4 nM 8.27 Inhibition of human recombinant DPP-4 expressed in human Caco-2 cells using H-Al... 37647598

Literature References

PubMed DOI Target Context # Activities
29078995 10.1016/j.ejmech.2017.10.029 Rattus norvegicus 10
37647598 10.1021/acs.jmedchem.3c00412 Dipeptidyl peptidase 4 7
29078995 10.1016/j.ejmech.2017.10.029 ADMET 7
30694668 10.1021/acs.jmedchem.8b01491 Mus musculus 6
29078995 10.1016/j.ejmech.2017.10.029 Mus musculus 4
21186796 10.1021/jm101016w Rattus norvegicus 3
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
21186796 10.1021/jm101016w Liver microsomes 2
28421763 10.1021/acs.jmedchem.7b00010 Dipeptidyl peptidase 4 2
29078995 10.1016/j.ejmech.2017.10.029 Dipeptidyl peptidase 4 2
- 10.6019/CHEMBL5724796 Bromodomain-containing protein 4 1
29609120 10.1016/j.ejmech.2018.03.041 Homo sapiens 1
21186796 10.1021/jm101016w Voltage-gated inwardly rectifying potassium channel KCNH2 1
21186796 10.1021/jm101016w Cytochrome P450 3A4 1
21186796 10.1021/jm101016w Cytochrome P450 2D6 1
21186796 10.1021/jm101016w Cytochrome P450 2C19 1
21186796 10.1021/jm101016w Cytochrome P450 2C9 1
21186796 10.1021/jm101016w Cytochrome P450 1A2 1
21186796 10.1021/jm101016w Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine