1.0 2016-05-25 18:28:51 UTC 2026-08-19 21:33:12 UTC Vildagliptin SmallMolecule Vildagliptin is an organic compound with the formula C17H25N3O2 and an average molecular weight of 303.40 g/mol. Vildagliptin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. In terms of its biological activity, it acts as an inhibitor of the protein target Dipeptidyl peptidase 4 (DPP4). The compound is utilized within healthcare, pharmaceuticals, and veterinary products as a blood glucose lowering drug, excluding insulins. The recorded route of exposure for this substance is oral. Vildagliptin has been found in or released from 27 recorded sources. These include building and construction materials such as floors, roofs, fencing, and tents or canopies. It is also associated with household cleaning and consumer products, specifically soap dispensers, pipe accessories, and match receptacles or boxes. Within the food and cookware sector, it is linked to molasses and the treatment of molasses. Additionally, it is found in electrical and electronic equipment, including amplifiers, antennas, coils, auxiliary devices, adjustable resistors, and 13 other sources. C17H25N3O2 303.3993 303.194677059 (2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}pyrrolidine-2-carbonitrile EQUA 274901-16-5 OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N 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 SYOKIDBDQMKNDQ-XWTIBIIYSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acid amides Azacyclic compounds Carbonyl compounds Cyclic alcohols and derivatives Dialkylamines Hydrocarbon derivatives N-acylpyrrolidines Nitriles Organic oxides Organopnictogen compounds Tertiary alcohols Tertiary carboxylic acid amides Alcohol Aliphatic heteropolycyclic compound Alpha-amino acid amide Amine Azacycle Carbonitrile Carbonyl group Carboxamide group Cyclic alcohol Hydrocarbon derivative N-acylpyrrolidine Nitrile Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrolidine Secondary aliphatic amine Secondary amine Tertiary alcohol Tertiary carboxylic acid amide Aliphatic heteropolycyclic compounds Detected and Not Quantified Vildagliptin Drug Metabolism Action Pathway SMP0143937 logp -0.22 logp 1.12 ALOGPS logs -2.24 ALOGPS solubility 1.75e+00 g/l ALOGPS logp -0.22 ChemAxon pka_strongest_acidic 14.71 ChemAxon pka_strongest_basic 9.03 ChemAxon iupac (2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}pyrrolidine-2-carbonitrile ChemAxon average_mass 303.3993 ChemAxon mono_mass 303.194677059 ChemAxon smiles OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N ChemAxon formula C17H25N3O2 ChemAxon 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 ChemAxon inchikey SYOKIDBDQMKNDQ-XWTIBIIYSA-N ChemAxon polar_surface_area 76.36 ChemAxon refractivity 82 ChemAxon polarizability 33.17 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726c933038> DB04876 6918537 5293734 BE0000854