alogliptin   

GtoPdb Ligand ID: 6319

Synonyms: Nesina® | SYR-322 | Vipidia®
alogliptin is an approved drug (EMA & FDA (2013))
Compound class: Synthetic organic
Comment: Alogliptin is a once-daily, oral dipeptidyl peptidase-4 (DPP-4) inhibitor class anti-diabetic drug.
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: alogliptin

2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 97.05
Molecular weight 339.17
XLogP 3.22
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N#Cc1ccccc1Cn1c(cc(=O)n(c1=O)C)N1CCCC(C1)N
Isomeric SMILES N#Cc1ccccc1Cn1c(cc(=O)n(c1=O)C)N1CCC[C@H](C1)N
InChI InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1
InChI Key ZSBOMTDTBDDKMP-OAHLLOKOSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (EMA & FDA (2013))
IUPAC Name
2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)benzonitrile
International Nonproprietary Names
INN number INN
8814 alogliptin
Synonyms
Nesina® | SYR-322 | Vipidia®
Database Links
CAS Registry No. 850649-61-5 (source: Scifinder)
ChEMBL Ligand CHEMBL376359
DrugBank Ligand DB06203
DrugCentral Ligand 4340
GtoPdb PubChem SID 178102937
PubChem CID 11450633
RCSB PDB Ligand T22
Search Google for chemical match using the InChIKey ZSBOMTDTBDDKMP-OAHLLOKOSA-N
Search Google for chemicals with the same backbone ZSBOMTDTBDDKMP
Search PubMed clinical trials alogliptin
Search PubMed titles alogliptin
Search PubMed titles/abstracts alogliptin
Search UniChem for chemical match using the InChIKey ZSBOMTDTBDDKMP-OAHLLOKOSA-N
Search UniChem for chemicals with the same backbone ZSBOMTDTBDDKMP
SynPHARM 78493 (in complex with dipeptidyl peptidase 4)
Wikipedia Alogliptin