Linagliptin

Basic Information

CAS ID: 668270-12-0
Molecular Formula: C25H28N8O2
Molecular Weight: 472.6 g/mol
Monoisotopic Mass: 472.2335 g/mol
Class: Small Molecule
Natural Product: No
Other Names: TRADJENTA | BS 1356 BS | BI-1356 | LINAGLIPTIN | TRAJENTA | BI 1356 BS
Analysis: Drug repositioning mechanism analysis

N N N O N N N O N H2N

Compound Structure and Identifier

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 See All
InChI Key: LTXREWYXXSTFRX-QGZVFWFLSA-N
Smiles: CC#CCn1c(nc2N(C)C(=O)N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N5CCC[C@@H](N)C5 See All
Molfile: Download

Related Target

Target ID Name Interaction
T0219 Dipeptidyl peptidase 4 inhibitor

Related Fibrosis Property

Reference Record 1

PubMed ID 25830763 Target ID T0219
Uniprot ID Dipeptidyl peptidase 4 Name Dipeptidyl peptidase 4
Model mice Fibrosis Disease Renal fibrosis
Process I
Process II EMT
Process III
Mechanism

Reference Record 2

PubMed ID 27083282 Target ID T0219
Uniprot ID Dipeptidyl peptidase 4 Name Dipeptidyl peptidase 4
Model rat Fibrosis Disease Renal fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism

Related Link

PubChem: 10096344
ChEMBL: CHEMBL237500