1.0 2016-05-22 05:59:33 UTC 2026-05-14 16:59:18 UTC Nelarabine SmallMolecule Nelarabine is an organic compound with the formula C11H15N5O5 and an average molecular weight of 297.27 g/mol. Nelarabine belongs to the purine nucleosides, a class of nucleosides, nucleotides, and analogues within the organic compounds. Used as an antineoplastic agent within healthcare, pharmaceuticals, and veterinary products, this compound is administered via intravenous exposure. Nelarabine acts on four recorded protein targets, serving as an inhibitor of DNA ligase 1 (LIG1), the DNA primase small subunit (PRIM1), the ribonucleoside-diphosphate reductase large subunit (RRM1), and the DNA polymerase alpha catalytic subunit (POLA1). Human Neurotoxin C11H15N5O5 297.2673 297.107318615 (2R,3S,4S,5R)-2-(2-amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol nelarabine 121032-29-9 COC1=NC(N)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1 IXOXBSCIXZEQEQ-UHTZMRCNSA-N Organic compounds Nucleosides, nucleotides, and analogues Purine nucleosides Purine nucleosides Alkyl aryl ethers Aminopyrimidines and derivatives Azacyclic compounds Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Hypoxanthines N-substituted imidazoles Organopnictogen compounds Oxacyclic compounds Pentoses Primary alcohols Primary amines Secondary alcohols Tetrahydrofurans Alcohol Alkyl aryl ether Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Ether Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hypoxanthine Imidazole Imidazopyrimidine Monosaccharide N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Primary alcohol Primary amine Purine Purine nucleoside Pyrimidine Secondary alcohol Tetrahydrofuran Aromatic heteropolycyclic compounds beta-D-arabinoside monosaccharide derivative purine nucleoside Detected and Not Quantified Nelarabine Action Pathway SMP0126649 Nelarabine Drug Metabolism Action Pathway SMP0143688 logp -1.6 logp -0.81 ALOGPS logs -1.33 ALOGPS solubility 1.39e+01 g/l ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 12.45 ChemAxon pka_strongest_basic 3.47 ChemAxon iupac (2R,3S,4S,5R)-2-(2-amino-6-methoxy-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol ChemAxon average_mass 297.2673 ChemAxon mono_mass 297.107318615 ChemAxon smiles COC1=NC(N)=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O ChemAxon formula C11H15N5O5 ChemAxon inchi InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1 ChemAxon inchikey IXOXBSCIXZEQEQ-UHTZMRCNSA-N ChemAxon polar_surface_area 148.77 ChemAxon refractivity 69.6 ChemAxon polarizability 27.68 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 9 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bcff3a0b8> DB01280 151121 133199 BE0000546 BE0000199 BE0010216 BE0000325