{"ymdb_id":"YMDB01481","created_at":"2011-07-25T20:43:56.000Z","updated_at":"2016-09-08T18:36:44.000Z","name":"Acadesine","cas":"3031-94-5","state":"Solid","melting_point":null,"description":"Acadesine (5-aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside, AICA-riboside) is an AMP-activated protein kinase activator which is used for the treatment of acute lymphoblastic leukemia and may have applications in treating other disorders such as diabetes.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"18406","hmdb_id":"HMDB01517","kegg_id":"C04677","pubchem_id":"65110","cs_id":"195","foodb_id":"FDB001213","wikipedia_link":"AICA ribonucleotide","biocyc_id":"AICAR","iupac":"{[(2R,3S,4R,5R)-5-(5-amino-4-carbamoyl-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid","traditional_iupac":"aica ribonucleotide","logp":"-4.81241299868757","pka":"6.266347985457528","alogps_solubility":"2.79e+00 g/l","alogps_logp":"-2.16","alogps_logs":"-2.08","acceptor_count":"9","donor_count":"6","rotatable_bond_count":"5","polar_surface_area":"203.37999999999997","refractivity":"69.1421","polarizability":"28.56573109900927","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"4.804279678031426","pka_strongest_acidic":"1.2245998962218518","bioavailability":"0","number_of_rings":"2","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1-(5-phosphoribosyl)-5-amino-4-imidazolecarboxamide","1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide","5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide","5-Amino-4-imidazole carboxamide ribonucleotide","5-amino-4-imidazolecarboxamide ribotide","5-aminoimidazole-4-carboxamide ribotide","5-phospho-ribosyl-5-amino-4-imidazole carboxamide","5-phosphoribosyl-4-carbamoyl-5-aminoimidazole","5-phosphoribosyl-5-amino-4-imidazolecarboxamide","5'-P-ribosyl-5-amino-4-imidazole carboxamide","5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide","5'-phosphoribosyl-5-amino-4-imidazole carboxamide","5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide","AICA ribonucleotide","aicar","aminoimidazole carboxamide ribonucleotide","Z-nucleotide"],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"},{"name":"Histidine metabolism","kegg_map_id":"00340"},{"name":"Histidine Biosynthesis","kegg_map_id":null},{"name":"One Carbon Pool by Folate I","kegg_map_id":null},{"name":"purine nucleotides de novo biosynthesis","kegg_map_id":null}],"growth_conditions":[],"references":[{"pubmed_id":null,"citation":"Yannai S. Dictionary of food compounds with CD-ROM: additives, flavors, and ingredients. Chapman \u0026 Hall/CRC; 2004."}],"proteins":[]}