1.0 2016-05-22 04:26:05 UTC 2026-08-24 10:48:22 UTC Emtricitabine SmallMolecule Emtricitabine is an organic compound with the formula C8H10FN3O3S and an average molecular weight of 247.25 g/mol. Emtricitabine belongs to the 3'-thia pyrimidine nucleosides, a subclass of nucleoside and nucleotide analogues within the organic compounds. This compound acts as an inhibitor or modulator of two recorded protein targets: the Gag-Pol polyprotein (gag-pol) and Reverse transcriptase/RNaseH (pol). The substance is found in or released from seven recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is used as an antiviral. Other recorded sources include household cleaning and consumer products, specifically non electric simulated smoking devices, as well as electrical and electronic equipment, including television systems, video games, and electrically stimulated smoking devices. Additionally, it is associated with food, food processing, and cookware, specifically in the preparation of malt and the preparation of wine or sparkling wine. The recorded exposure route for this compound is oral. C8H10FN3O3S 247.247 247.042690096 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1,2-dihydropyrimidin-2-one emtricitabine 143491-57-0 NC1=NC(=O)N(C=C1F)[C@@H]1CS[C@H](CO)O1 InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1 XQSPYNMVSIKCOC-NTSWFWBYSA-N Organic compounds Nucleosides, nucleotides, and analogues Nucleoside and nucleotide analogues 3'-thia pyrimidine nucleosides 3'-thia pyrimidine nucleosides Aminopyrimidines and derivatives Aryl fluorides Azacyclic compounds Halopyrimidines Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Imidolactams Monothioacetals Organic oxides Organofluorides Organopnictogen compounds Oxacyclic compounds Oxathiolanes Primary alcohols Primary amines Pyrimidones 3'-thia pyrimidine nucleoside Alcohol Amine Aminopyrimidine Aromatic heteromonocyclic compound Aryl fluoride Aryl halide Azacycle Halopyrimidine Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Imidolactam Monothioacetal Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxathiolane Primary alcohol Primary amine Pyrimidine Pyrimidone Aromatic heteromonocyclic compounds monothioacetal nucleoside analogue organofluorine compound pyrimidone Detected and Not Quantified Emtricitabine Action Pathway SMP0000741 Emtricitabine Drug Metabolism Action Pathway SMP0143314 logp 0.082 logp -0.80 ALOGPS logs -2.09 ALOGPS solubility 2.00e+00 g/l ALOGPS logp -0.9 ChemAxon pka_strongest_acidic 14.29 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1,2-dihydropyrimidin-2-one ChemAxon average_mass 247.247 ChemAxon mono_mass 247.042690096 ChemAxon smiles NC1=NC(=O)N(C=C1F)[C@@H]1CS[C@H](CO)O1 ChemAxon formula C8H10FN3O3S ChemAxon inchi InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1 ChemAxon inchikey XQSPYNMVSIKCOC-NTSWFWBYSA-N ChemAxon polar_surface_area 88.15 ChemAxon refractivity 55.37 ChemAxon polarizability 21.79 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bafc5e300> DB00879 60877 54859 BE0004136 BE0002050