LINAGLIPTIN

/static/temp/default.svg

Search structure


Trade Names	LINAGLIPTIN TRADJENTA
Synonyms	BI 1356 BI 1356 BS BI-1356 BI-1356-BS BI-1356BS BS 1356 BS BS-1356-BS Linagliptin Tradjenta Trajenta Trazenta
Status
Molecule Category	Free-form
ATC	A10BH05
UNII	3X29ZEJ4R2

Structure


InChI Key	LTXREWYXXSTFRX-QGZVFWFLSA-N
Smiles	CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
InChI	InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C25H28N8O2
Molecular Weight	472.55
AlogP	1.15
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	116.86
Molecular species	BASE
Aromatic Rings	4.0
Heavy Atoms	35.0

Pharmacology

Mechanism of Action	Action	Reference
Dipeptidyl peptidase IV inhibitor	INHIBITOR	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily	-	0.1-370	0.0066-5.3	-	96.24
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	-	-	-	97
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor	-	295-300	-	-	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	3.39-35.5
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	-	-	-	0-19.4
Transporter Primary active transporter ATP-binding cassette ABCG subfamily	-	-	-	-	24.7

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	0.1-370	0.0066-5.3	-	0-97
Mus musculus	-	370-370	-	-	15-76

Target Conservation


Protein: Dipeptidyl peptidase IV Description: Dipeptidyl peptidase 4 Organism : Homo sapiens P27487 ENSG00000197635

Cross References

Resources	Reference
ChEBI	68610
ChEMBL	CHEMBL237500
DrugBank	DB08882
DrugCentral	4175
FDA SRS	3X29ZEJ4R2
Guide to Pharmacology	6318
PDB	356
PubChem	10096344
SureChEMBL	SCHEMBL160188
ZINC	ZINC000003820029

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025