1.0 2016-05-22 05:44:54 UTC 2026-05-14 16:38:57 UTC Entecavir SmallMolecule Entecavir belongs to the nucleoside and nucleotide analogues, a class of nucleosides, nucleotides, and analogues within the organic compounds. It has a chemical formula of C12H15N5O3 and an average molecular weight of 277.28 g/mol. This compound is recorded as a source in healthcare, pharmaceuticals, and veterinary products specifically as an antiviral, with an oral exposure route. In terms of biological activity, it acts as an inhibitor of the protein target reverse transcriptase (rt). C12H15N5O3 277.2792 277.117489371 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6,9-dihydro-3H-purin-6-one entecavir 142217-69-4 NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](CO)C1=C InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1 QDGZDCVAUDNJFG-FXQIFTODSA-N Organic compounds Nucleosides, nucleotides, and analogues Nucleoside and nucleotide analogues Nucleoside and nucleotide analogues 6-oxopurines Aminopyrimidines and derivatives Azacyclic compounds Cyclic alcohols and derivatives Cyclopentanols Heteroaromatic compounds Hydrocarbon derivatives Hypoxanthines N-substituted imidazoles Organic oxides Organopnictogen compounds Primary alcohols Primary amines Pyrimidones Vinylogous amides 6-oxopurine Alcohol Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Cyclic alcohol Cyclopentanol Heteroaromatic compound Hydrocarbon derivative Hypoxanthine Imidazole Imidazopyrimidine N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Primary amine Purine Purinone Pyrimidine Pyrimidone Secondary alcohol Vinylogous amide Aromatic heteropolycyclic compounds 2-aminopurines oxopurine primary alcohol secondary alcohol Detected and Not Quantified Entecavir Action Pathway SMP0125901 Entecavir Drug Metabolism SMP0130774 Entecavir Drug Metabolism Action Pathway SMP0142899 logp -1.4 logp -0.81 ALOGPS logs -1.62 ALOGPS solubility 6.59e+00 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 8 ChemAxon pka_strongest_basic 2.77 ChemAxon iupac 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6,9-dihydro-3H-purin-6-one ChemAxon average_mass 277.2792 ChemAxon mono_mass 277.117489371 ChemAxon smiles NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](CO)C1=C ChemAxon formula C12H15N5O3 ChemAxon inchi InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1 ChemAxon inchikey QDGZDCVAUDNJFG-FXQIFTODSA-N ChemAxon polar_surface_area 125.76 ChemAxon refractivity 71 ChemAxon polarizability 27.31 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72261af0a0> DB00442 170343 148942 BE0009677