Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04218"

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PredicateValue (sorted: none)
rdfs:label
"1-Deaza-Adenosine"
rdf:type
ns1:drugs
owl:sameAs
?:EXPT00071
ns1:description
" experimental This compound belongs to the glycosylamines. These are compounds consisting of an amine with a β-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (α-aminoether). Glycosylamines Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Glycosyl Compounds Pentoses Imidazopyridines Aminopyridines and Derivatives Primary Aromatic Amines N-substituted Imidazoles Tetrahydrofurans Oxolanes Secondary Alcohols 1,2-Diols Ethers Polyamines Primary Alcohols pentose monosaccharide imidazopyridine aminopyridine monosaccharide primary aromatic amine n-substituted imidazole pyridine azole imidazole oxolane tetrahydrofuran secondary alcohol 1,2-diol polyamine primary alcohol ether alcohol amine organonitrogen compound primary amine logP -0.86 ALOGPS logS -1.3 ALOGPS Water Solubility 1.29e+01 g/l ALOGPS logP -2 ChemAxon IUPAC Name (2R,3R,4R,5S)-2-{7-amino-3H-imidazo[4,5-b]pyridin-3-yl}-5-(hydroxymethyl)oxolane-3,4-diol ChemAxon Traditional IUPAC Name 1-deaza-adenosine ChemAxon Molecular Weight 266.2533 ChemAxon Monoisotopic Weight 266.101504956 ChemAxon SMILES NC1=CC=NC2=C1N=CN2[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O ChemAxon Molecular Formula C11H14N4O4 ChemAxon InChI InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9+,11+/m0/s1 ChemAxon InChIKey InChIKey=NVUDDRWKCUAERS-WGNDUZGJSA-N ChemAxon Polar Surface Area (PSA) 126.65 ChemAxon Refractivity 64.06 ChemAxon Polarizability 25.67 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 7 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 12.45 ChemAxon pKa (strongest basic) 5.18 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 46936923 PubChem Substance 46505798 PDB 1DA BE0002214 Adenosine deaminase Human # Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284 # Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423 # Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235 unknown Adenosine deaminase Replication, recombination and repair Adenosine + H(2)O = inosine + NH(3) ADA 20q12-q13.11 Cytoplasmic None 5.8 40765.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:186 GenAtlas ADA GeneCards ADA GenBank Gene Database X02994 GenBank Protein Database 28380 UniProtKB P00813 UniProt Accession ADA_HUMAN Adenosine aminohydrolase EC 3.5.4.4 >Adenosine deaminase MAQTPAFDKPKVELHVHLDGSIKPETILYYGRRRGIALPANTAEGLLNVIGMDKPLTLPD FLAKFDYYMPAIAGCREAIKRIAYEFVEMKAKEGVVYVEVRYSPHLLANSKVEPIPWNQA EGDLTPDEVVALVGQGLQEGERDFGVKARSILCCMRHQPNWSPKVVELCKKYQQQTVVAI DLAGDETIPGSSLLPGHVQAYQEAVKSGIHRTVHAGEVGSAEVVKEAVDILKTERLGHGY HTLEDQALYNRLRQENMHFEICPWSSYLTGAWKPDTEHAVIRLKNDQANYSLNTDDPLIF KSTLDTDYQMTKRDMGFTEEEFKRLNINAAKSSFLPEDEKRELLDLLYKAYGMPPSASAG QNL >1092 bp ATGGCCCAGACGCCCGCCTTCGACAAGCCCAAAGTAGAACTGCATGTCCACCTAGACGGA TCCATCAAGCCTGAAACCATCTTATACTATGGCAGGAGGAGAGGGATCGCCCTCCCAGCT AACACAGCAGAGGGGCTGCTGAACGTCATTGGCATGGACAAGCCGCTCACCCTTCCAGAC TTCCTGGCCAAGTTTGACTACTACATGCCTGCTATCGCGGGCTGCCGGGAGGCTATCAAA AGGATCGCCTATGAGTTTGTAGAGATGAAGGCCAAAGAGGGCGTGGTGTATGTGGAGGTG CGGTACAGTCCGCACCTGCTGGCCAACTCCAAAGTGGAGCCAATCCCCTGGAACCAGGCT GAAGGGGACCTCACCCCAGACGAGGTGGTGGCCCTAGTGGGCCAGGGCCTGCAGGAGGGG GAGCGAGACTTCGGGGTCAAGGCCCGGTCCATCCTGTGCTGCATGCGCCACCAGCCCAAC TGGTCCCCCAAGGTGGTGGAGCTGTGTAAGAAGTACCAGCAGCAGACCGTGGTGGCCATT GACCTGGCTGGAGATGAGACCATCCCAGGAAGCAGCCTCTTGCCTGGACATGTCCAGGCC TACCAGGAGGCTGTGAAGAGCGGCATTCACCGTACTGTCCACGCCGGGGAGGTGGGCTCG GCCGAAGTAGTAAAAGAGGCTGTGGACATACTCAAGACAGAGCGGCTGGGACACGGCTAC CACACCCTGGAAGACCAGGCCCTTTATAACAGGCTGCGGCAGGAAAACATGCACTTCGAG ATCTGCCCCTGGTCCAGCTACCTCACTGGTGCCTGGAAGCCGGACACGGAGCATGCAGTC ATTCGGCTCAAAAATGACCAGGCTAACTACTCGCTCAACACAGATGACCCGCTCATCTTC AAGTCCACCCTGGACACTGATTACCAGATGACCAAACGGGACATGGGCTTTACTGAAGAG GAGTTTAAAAGGCTGAACATCAATGCGGCCAAATCTAGTTTCCTCCCAGAAGATGAAAAG AGGGAGCTTCTCGACCTGCTCTATAAAGCCTATGGGATGCCACCTTCAGCCTCTGCAGGG CAGAACCTCTGA PF00962 A_deaminase function hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines function deaminase activity function adenosine deaminase activity function hydrolase activity function hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds function catalytic activity process metabolism process cellular metabolism process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process nucleotide metabolism process purine nucleoside monophosphate biosynthesis process purine ribonucleoside monophosphate biosynthesis process purine nucleotide metabolism process physiological process process purine nucleotide biosynthesis "

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