{"ymdb_id":"YMDB00897","created_at":"2011-05-29T19:02:33.000Z","updated_at":"2016-09-08T18:36:02.000Z","name":"3-Methyladenine","cas":"5142-23-4","state":"Solid","melting_point":"","description":"3-Methyladenine is the 3-methylated form of adenine, a purine nucleobase. 3-Methyladenine is a toxic agent that can be formed by many methylating agents. It acts by inhibiting DNA polymerization. ","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":null,"synthesis_reference":null,"chebi_id":"38635","hmdb_id":"HMDB11600","kegg_id":"C00913","pubchem_id":"1673","cs_id":"1610","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3-methyl-3H-purin-6-amine","traditional_iupac":"3-methyladenine","logp":"-0.3073366643333334","pka":null,"alogps_solubility":"1.81e+00 g/l","alogps_logp":"-1.14","alogps_logs":"-1.92","acceptor_count":"4","donor_count":"1","rotatable_bond_count":"0","polar_surface_area":"69.62","refractivity":"41.495999999999995","polarizability":"14.47668525793151","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"3.0308081279002455","pka_strongest_acidic":"17.30023185725119","bioavailability":"1","number_of_rings":"2","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["3-methyl-3H-Purin-6-amine","3-methyl-3H-purin-6-ylamine","3-methyl-Adenine","6-Amino-3-methylpurine"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."},{"pubmed_id":2265620,"citation":"Chen, J., Derfler, B., Samson, L. (1990). \"Saccharomyces cerevisiae 3-methyladenine DNA glycosylase has homology to the AlkA glycosylase of E. coli and is induced in response to DNA alkylation damage.\" EMBO J 9:4569-4575."}],"proteins":[]}