linagliptin

Ligand id: 6318

Name: linagliptin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 113.48
Molecular weight 472.23
XLogP 2.6
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2011))
IUPAC Name
8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
International Nonproprietary Names
INN number INN
9039 linagliptin
Synonyms
BI-1356 | Tradjenta®
Database Links
CAS Registry No. 668270-12-0 (source: INN)
ChEBI CHEBI:68610
ChEMBL Ligand CHEMBL237500
DrugBank Ligand DB08882
PubChem CID 10096344
RCSB PDB Ligand 356
Search Google for chemical match using the InChIKey LTXREWYXXSTFRX-QGZVFWFLSA-N
Search Google for chemicals with the same backbone LTXREWYXXSTFRX
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Search UniChem for chemical match using the InChIKey LTXREWYXXSTFRX-QGZVFWFLSA-N
Search UniChem for chemicals with the same backbone LTXREWYXXSTFRX
SynPHARM 78503 (in complex with dipeptidyl peptidase 4)
Wikipedia Linagliptin
Comments
Linagliptin is a once-daily, oral dipeptidyl peptidase-4 (DPP-4) inhibitor class anti-diabetic drug.