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Compound Detail

CHEMBL376359

ALOGLIPTIN
💊 Approved Drug
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💊 Approved Drug
Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL376359
Name ALOGLIPTIN
Phase Approved
Structure Type MOL
InChI Key ZSBOMTDTBDDKMP-OAHLLOKOSA-N
Therapeutic ✓ Yes

Known Names

Alogliptin Alogliptina Alogliptine Vipidia
2
Targets
35
Activities
2
Assay Types
29
PK Parameters
20
Publications
4
Known Names
2
Indications

Molecular Properties

339.4
MW (Da)
0.39
ALogP
7
HBA
1
HBD
97.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2013
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -gliptin
USAN Year 2008

Extended Properties

Molecular Formula C18H21N5O2
MW 339.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.32

Indications

Diabetes Mellitus Diabetes Mellitus, Type 2

ATC Classification

A10BH04
alogliptin
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS USED IN DIABETES

Activity Summary

IC50 33 meas. best 9.0
Kd 2 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
 IC50 9.0 8.2837 1.0 30
Dipeptidyl peptidase 4
CHEMBL284
 Kd 8.62 8.08 2.4 2
Dipeptidyl peptidase 4
CHEMBL3883
 IC50 8.07 8.07 8.6 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 1200.0 ng.hr.mL-1 Rattus norvegicus
AUC 260.0 ng.hr.mL-1 Rattus norvegicus
AUC 1600.0 ng.hr.mL-1 Canis lupus familiaris
AUC 16600.0 ng.hr.mL-1 Macaca fascicularis
CL 49.0 mL.min-1.kg-1 Rattus norvegicus
CL 23.0 mL.min-1.kg-1 Canis lupus familiaris
CL 8.8 mL.min-1.kg-1 Macaca fascicularis
Cmax 1157.93 nM Rattus norvegicus
Cmax 1317.03 nM Canis lupus familiaris
Cmax 9451.97 nM Macaca fascicularis
F 75.0 % Homo sapiens
F 45.0 % Rattus norvegicus
F 86.0 % Rattus norvegicus
F 68.0 % Canis lupus familiaris
F 87.0 % Macaca fascicularis
T1/2 2.017 hr Homo sapiens
T1/2 3.333 hr Rattus norvegicus
T1/2 2.0 hr Rattus norvegicus
T1/2 21.1 hr Homo sapiens
T1/2 2.8 hr Rattus norvegicus
T1/2 1.4 hr Rattus norvegicus
T1/2 3.0 hr Canis lupus familiaris
T1/2 5.6 hr Macaca fascicularis
Tmax 2.3 hr Rattus norvegicus
Tmax 0.4 hr Canis lupus familiaris
Tmax 1.0 hr Macaca fascicularis
Vd 3.5 L.kg-1 Rattus norvegicus
Vd 3.5 L.kg-1 Canis lupus familiaris
Vd 2.6 L.kg-1 Macaca fascicularis

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 1.0 nM 9.0 Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoum... 21865048
Dipeptidyl peptidase 4 IC50 = 1.5 nM 8.82 Inhibition of human DPP-4 using Gly-pro-AMC as substrate preincubated for 10 min... 23994324
Dipeptidyl peptidase 4 Kd = 2.4 nM 8.62 Binding affinity to human recombinant DPP4 (39 to 766 residues) by surface plasm... 27438064
Dipeptidyl peptidase 4 IC50 = 2.6 nM 8.59 Inhibition of human recombinant DPP-4 34428715
Dipeptidyl peptidase 4 IC50 = 2.56 nM 8.59 Inhibition of DPP-4 (unknown origin) 34428715
Dipeptidyl peptidase 4 IC50 = 2.7 nM 8.57 Inhibition of recombinant human DPP4 expressed in baculovirus infected Sf9 insec... 30642693
Dipeptidyl peptidase 4 IC50 = 2.7 nM 8.57 Inhibition of human recombinant DPP-4 34428715
Dipeptidyl peptidase 4 IC50 = 3.1 nM 8.51 Inhibition of human recombinant DPP4 using Gly-Pro-AMC as substrate preincubated... 34399391
Dipeptidyl peptidase 4 IC50 = 3.4 nM 8.47 Inhibition of DPP4 after 20 mins by fluorescence assay 21106276
Dipeptidyl peptidase 4 IC50 = 3.4 nM 8.47 Inhibition of human DPP4 after 10 mins 22475866
Dipeptidyl peptidase 4 IC50 = 4.0 nM 8.4 Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetri... 22938786
Dipeptidyl peptidase 4 IC50 = 4.0 nM 8.4 Inhibition of human DPP4 using A-P-7-amido-4-trifluoromethylcoumarin as substrat... 29373269
Dipeptidyl peptidase 4 IC50 = 4.0 nM 8.4 Inhibition of DPP4 in human Caco-2 cells using AP-AFC as substrate preincubated ... 32987315
Dipeptidyl peptidase 4 IC50 = 4.0 nM 8.4 Inhibition of DPP-4 (unknown origin) 34428715
Dipeptidyl peptidase 4 IC50 = 4.46 nM 8.35 Inhibition of recombinant human DPP4 expressed in baculovirus infected Sf9 insec... 31336309
Dipeptidyl peptidase 4 IC50 = 5.3 nM 8.28 Inhibition of human recombinant DPP4 using Gly-Pro-7-amido-4-methyl-coumarin as ... 28421763
Dipeptidyl peptidase 4 IC50 = 5.3 nM 8.28 Inhibition of human recombinant DPP-4 in Caco-2 cells using GP-AMC as substrate ... 37647598
Dipeptidyl peptidase 4 IC50 = 6.9 nM 8.16 Inhibition of human DPP4 -
Dipeptidyl peptidase 4 IC50 = 6.85 nM 8.16 Inhibition of human recombinant DPP-4 using (H-Gly-Pro-AMC as substrate 34428715
Dipeptidyl peptidase 4 IC50 = 7.0 nM 8.15 Inhibition of human DPP4 21186796

Literature References

PubMed DOI Target Context # Activities
37647598 10.1021/acs.jmedchem.3c00412 ADMET 25
23994324 10.1016/j.ejmech.2013.08.010 Mus musculus 8
37593577 10.1039/d3md00085k Rattus norvegicus 8
32987315 10.1016/j.ejmech.2020.112850 Mus musculus 7
34428715 10.1016/j.bmc.2021.116354 Dipeptidyl peptidase 4 6
27438064 10.1021/acs.jmedchem.6b00475 Dipeptidyl peptidase 4 6
37647598 10.1021/acs.jmedchem.3c00412 Dipeptidyl peptidase 4 6
34399391 10.1016/j.ejmech.2021.113765 Dipeptidyl peptidase 4 4
22938786 10.1016/j.bmc.2012.07.046 Unchecked 3
28642028 10.1016/j.bmc.2017.06.007 Mus musculus 3
34399391 10.1016/j.ejmech.2021.113765 Mus musculus 3
31336309 10.1016/j.ejmech.2019.07.045 Mus musculus 3
34428715 10.1016/j.bmc.2021.116354 Mus musculus 3
30642693 10.1016/j.bmc.2019.01.001 Dipeptidyl peptidase 4 3
32927231 10.1016/j.ejmech.2020.112801 Dipeptidyl peptidase 4 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
30642693 10.1016/j.bmc.2019.01.001 Mus musculus 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
32987315 10.1016/j.ejmech.2020.112850 Unchecked 2

Data from ChEMBL 36 via Core Engine