1.0 2016-05-25 18:19:06 UTC 2026-08-22 10:59:52 UTC Nelfinavir SmallMolecule Nelfinavir is a chemical compound with the molecular formula C32H45N3O4S. Nelfinavir belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 567.78 g/mol, Nelfinavir is a heavy molecule. In terms of biological activity, Nelfinavir acts as an inhibitor of the Gag-Pol polyprotein (gag-pol). The compound is found in or released from ten recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is utilized as an antiviral. It is also associated with household cleaning and consumer products, specifically non electric simulated smoking devices. Additionally, it is recorded in food, food processing, and cookware, specifically in the preparation of malt and fermentation processes for beer. Other recorded sources include electrical and electronic equipment, such as magnets, antennas, television systems, relays, radio transmission systems, and one other source. The recorded exposure route for this compound is oral. C32H45N3O4S 567.782 567.313077633 (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-(phenylsulfanyl)butyl]-decahydroisoquinoline-3-carboxamide nelfinavir 159989-64-7 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CSC1=CC=CC=C1)NC(=O)C1=C(C)C(O)=CC=C1)[C@@H](C2)C(=O)NC(C)(C)C InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1 QAGYKUNXZHXKMR-HKWSIXNMSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acid amides Alpha amino acids Amino acids Carbonyl compounds Carboxylic acid salts Carboxylic acids Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Secondary carboxylic acid amides Trialkylamines Tricarboxylic acids and derivatives Aliphatic acyclic compound Alpha-amino acid Alpha-amino acid amide Amine Amino acid Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid salt Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Tertiary aliphatic amine Tertiary amine Tricarboxylic acid or derivatives Aliphatic acyclic compounds gadolinium coordination entity Detected and Not Quantified Nelfinavir Action Pathway SMP0125924 Nelfinavir Drug Metabolism Action Pathway SMP0142682 logp 4.72 logp 4.61 ALOGPS logs -5.47 ALOGPS solubility 1.91e-03 g/l ALOGPS logp 4.72 ChemAxon pka_strongest_acidic 9.32 ChemAxon pka_strongest_basic 8.18 ChemAxon iupac (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-(phenylsulfanyl)butyl]-decahydroisoquinoline-3-carboxamide ChemAxon average_mass 567.782 ChemAxon mono_mass 567.313077633 ChemAxon smiles [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CSC1=CC=CC=C1)NC(=O)C1=C(C)C(O)=CC=C1)[C@@H](C2)C(=O)NC(C)(C)C ChemAxon formula C32H45N3O4S ChemAxon inchi InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1 ChemAxon inchikey QAGYKUNXZHXKMR-HKWSIXNMSA-N ChemAxon polar_surface_area 101.9 ChemAxon refractivity 162.67 ChemAxon polarizability 63.8 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7220ff7000> DB00220 64143 57718 BE0000787