CHEBI:68610 - linagliptin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name linagliptin
ChEBI ID CHEBI:68610
Definition A xanthine that is 7H-xanthine bearing (4-methylquinazolin-2-yl)methyl, methyl, but-2-yn-1-yl and 3-aminopiperidin-1-yl substituents at positions 1, 3, 7 and 8 respectively (the R-enantiomer). Used for treatment of type II diabetes.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C25H28N8O2
Net Charge 0
Average Mass 472.54220
Monoisotopic Mass 472.234
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
InChIKey LTXREWYXXSTFRX-QGZVFWFLSA-N
SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Roles Classification
Biological Role(s): EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor
An EC 3.4.14.* (dipeptidyl- and tripeptidyl-peptidases) inhibitor that specifically inhibits dipeptidyl peptidase-4 (EC 3.4.14.5).
Application(s): hypoglycemic agent
A drug which lowers the blood glucose level.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing linagliptin (CHEBI:68610) has functional parent 7H-xanthine (CHEBI:48517)
linagliptin (CHEBI:68610) has role EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor (CHEBI:68612)
linagliptin (CHEBI:68610) has role hypoglycemic agent (CHEBI:35526)
linagliptin (CHEBI:68610) is a aminopiperidine (CHEBI:48588)
linagliptin (CHEBI:68610) is a quinazolines (CHEBI:38530)
IUPAC Name
8-[(3R)-3-aminopiperidin-1-yl]-7-(but-2-yn-1-yl)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
INN Source
linagliptin KEGG DRUG
Synonyms Sources
(R)-8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(4-methylquinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione ChemIDplus
BI 1356 ChemIDplus
Brand Name Source
Tradjenta KEGG DRUG
Database Links Databases
356 PDBeChem
D09566 KEGG DRUG
EP1852108 Patent
EP246874 Patent
Linagliptin Wikipedia
US2007259900 Patent
US2012165525 Patent
WO2004018468 Patent
WO2006048427 Patent
WO2009022008 Patent
WO2010072776 Patent
View more database links
Registry Numbers Types Sources
11300181 Reaxys Registry Number Reaxys
668270-12-0 CAS Registry Number KEGG DRUG
668270-12-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19476474 PubMed citation Europe PMC
19552619 PubMed citation Europe PMC
19732457 PubMed citation Europe PMC
19771584 PubMed citation Europe PMC
19777398 PubMed citation Europe PMC
19947894 PubMed citation Europe PMC
20086031 PubMed citation Europe PMC
20160157 PubMed citation Europe PMC
20497745 PubMed citation Europe PMC
20538719 PubMed citation Europe PMC
20637971 PubMed citation Europe PMC
20875371 PubMed citation Europe PMC
21053992 PubMed citation Europe PMC
21059094 PubMed citation Europe PMC
21084763 PubMed citation Europe PMC
21114605 PubMed citation Europe PMC
21205122 PubMed citation Europe PMC
21306414 PubMed citation Europe PMC
21340661 PubMed citation Europe PMC
21352464 PubMed citation Europe PMC
21410628 PubMed citation Europe PMC
21443284 PubMed citation Europe PMC
21543033 PubMed citation Europe PMC
21603986 PubMed citation Europe PMC
21642558 PubMed citation Europe PMC
21672124 PubMed citation Europe PMC
21680988 PubMed citation Europe PMC
21681003 PubMed citation Europe PMC
21701440 PubMed citation Europe PMC
21714581 PubMed citation Europe PMC
21723606 PubMed citation Europe PMC
21752782 PubMed citation Europe PMC
21781152 PubMed citation Europe PMC
21803422 PubMed citation Europe PMC
21883034 PubMed citation Europe PMC
21913883 PubMed citation Europe PMC
21916836 PubMed citation Europe PMC
22022857 PubMed citation Europe PMC
22143285 PubMed citation Europe PMC
22145698 PubMed citation Europe PMC
22149370 PubMed citation Europe PMC
22177783 PubMed citation Europe PMC
22198311 PubMed citation Europe PMC
22217485 PubMed citation Europe PMC
22234149 PubMed citation Europe PMC
22242621 PubMed citation Europe PMC
22268497 PubMed citation Europe PMC
22318932 PubMed citation Europe PMC
22340363 PubMed citation Europe PMC
22346314 PubMed citation Europe PMC
22356132 PubMed citation Europe PMC
22420306 PubMed citation Europe PMC
22440191 PubMed citation Europe PMC
22482239 PubMed citation Europe PMC
22493041 PubMed citation Europe PMC
22498683 PubMed citation Europe PMC
22541836 PubMed citation Europe PMC
22568694 PubMed citation Europe PMC
22587735 PubMed citation Europe PMC
22651241 PubMed citation Europe PMC
22691164 PubMed citation Europe PMC
22748821 PubMed citation Europe PMC
22761275 PubMed citation Europe PMC
22761701 PubMed citation Europe PMC
22804249 PubMed citation Europe PMC
22816729 PubMed citation Europe PMC
22879795 PubMed citation Europe PMC
22913735 PubMed citation Europe PMC
22926098 PubMed citation Europe PMC
22939034 PubMed citation Europe PMC
22974280 PubMed citation Europe PMC
22986920 PubMed citation Europe PMC
22997980 PubMed citation Europe PMC
23033241 PubMed citation Europe PMC
Last Modified
07 January 2014