1.0 2016-05-22 04:14:05 UTC 2026-08-24 13:36:56 UTC Decitabine SmallMolecule Decitabine is an organic compound with the chemical formula C8H12N4O4 and an average molecular weight of 228.21 g/mol. Decitabine belongs to the triazinones, a subclass of triazines within the organic compounds. This compound is associated with three recorded sources, including healthcare, pharmaceuticals and veterinary products as antineoplastic agents, as well as electrical and electronic equipment such as antennas and amplifiers. Recorded exposure routes for the substance include oral and intravenous administration. Decitabine acts on 12 recorded protein targets, serving as an inhibitor of DNA (cytosine-5)-methyltransferase 1 (DNMT1), DNA (cytosine-5)-methyltransferase 3A (DNMT3A), and DNA (cytosine-5)-methyltransferase 3B (DNMT3B). Additionally, it targets histone deacetylase 3 (HDAC3) and eight other proteins. C8H12N4O4 228.2053 228.085854892 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one decitabine 2353-33-5 NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1 InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1 XAUDJQYHKZQPEU-KVQBGUIXSA-N Organic compounds Organoheterocyclic compounds Triazines Triazinones Triazinones 1,3,5-triazines Aminotriazines Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Primary alcohols Primary amines Secondary alcohols Tetrahydrofurans 1,3,5-triazine Alcohol Amine Amino-1,3,5-triazine Aminotriazine Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary alcohol Primary amine Secondary alcohol Tetrahydrofuran Triazinone Aromatic heteromonocyclic compounds 2'-deoxyribonucleoside Detected and Not Quantified Decitabine Drug Metabolism Action Pathway SMP0143677 logp -2.2 logp -1.96 ALOGPS logs -1.62 ALOGPS solubility 5.50e+00 g/l ALOGPS logp -2.2 ChemAxon pka_strongest_acidic 13.89 ChemAxon pka_strongest_basic -0.25 ChemAxon iupac 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydro-1,3,5-triazin-2-one ChemAxon average_mass 228.2053 ChemAxon mono_mass 228.085854892 ChemAxon smiles NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1 ChemAxon formula C8H12N4O4 ChemAxon inchi InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1 ChemAxon inchikey XAUDJQYHKZQPEU-KVQBGUIXSA-N ChemAxon polar_surface_area 120.74 ChemAxon refractivity 50.68 ChemAxon polarizability 21.15 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bae545970> DB01262 16886 16001 BE0000892 BE0009880 BE0010009 BE0002367 BE0003523 BE0002365 BE0003525 BE0002366 BE0008667 BE0001608 BE0002368 BE0000881