vildagliptin   Click here for help

GtoPdb Ligand ID: 6310

Synonyms: Galvus® | LAF-237 | NVP-LAF237
Approved drug
vildagliptin is an approved drug (EMA & UK (2007))
Compound class: Synthetic organic
Comment: Vildagliptin is a dipeptidyl peptidase-4 (DPP-4) inhibitor class anti-diabetic drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 76.36
Molecular weight 303.19
XLogP 0.79
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#CC1CCCN1C(=O)CNC12CC3CC(C1)CC(C2)(C3)O
Isomeric SMILES N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(C1)CC(C2)(C3)O
InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1
InChI Key SYOKIDBDQMKNDQ-XWTIBIIYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA & UK (2007))
IUPAC Name Click here for help
(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile
International Nonproprietary Names Click here for help
INN number INN
8399 vildagliptin
Synonyms Click here for help
Galvus® | LAF-237 | NVP-LAF237
Database Links Click here for help
CAS Registry No. 274901-16-5
ChEMBL Ligand CHEMBL142703
DrugBank Ligand DB04876
DrugCentral Ligand 3642
GtoPdb PubChem SID 178102929
PubChem CID 6918537
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SynPHARM 78481 (in complex with dipeptidyl peptidase 4)
Wikipedia Vildagliptin