Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07463"

Predicate	Value (sorted: default)
rdfs:label	"(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrolopyrimidines Organic Compounds Heterocyclic Compounds Pyrrolopyrimidines Aminopyrimidines and Derivatives Primary Aromatic Amines Substituted Pyrroles Pyrrolidines Secondary Alcohols Tertiary Amines Polyamines Thioethers aminopyrimidine substituted pyrrole primary aromatic amine pyrimidine pyrrole pyrrolidine tertiary amine secondary alcohol thioether polyamine primary amine amine alcohol organonitrogen compound logP 1.67 ALOGPS logS -3.6 ALOGPS Water Solubility 8.61e-02 g/l ALOGPS logP 1.66 ChemAxon IUPAC Name (3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol ChemAxon Traditional IUPAC Name (3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol ChemAxon Molecular Weight 335.468 ChemAxon Monoisotopic Weight 335.177981137 ChemAxon SMILES [H][C@]1(O)CN(CC2=CNC3=C2N=CN=C3N)C[C@]1([H])CSCCCC ChemAxon Molecular Formula C16H25N5OS ChemAxon InChI InChI=1S/C16H25N5OS/c1-2-3-4-23-9-12-7-21(8-13(12)22)6-11-5-18-15-14(11)19-10-20-16(15)17/h5,10,12-13,18,22H,2-4,6-9H2,1H3,(H2,17,19,20)/t12-,13+/m1/s1 ChemAxon InChIKey InChIKey=LTSUEVPGSXUJHT-OLZOCXBDSA-N ChemAxon Polar Surface Area (PSA) 91.06 ChemAxon Refractivity 96.44 ChemAxon Polarizability 37.74 ChemAxon Rotatable Bond Count 7 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 13.47 ChemAxon pKa (strongest basic) 8.66 ChemAxon Physiological Charge 1 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon MDDR-Like Rule true ChemAxon PubChem Compound 11393519 PubChem Substance 99443934 ChemSpider 9568421 PDB BIG BE0003891 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961) # 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 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase Nucleotide transport and metabolism Catalyzes the irreversible cleavage of the glycosidic bond in both 5'-methylthioadenosine (MTA) and S- adenosylhomocysteine (SAH/AdoHcy) to adenine and the corresponding thioribose, 5'-methylthioribose and S-ribosylhomocysteine, respectively (By similarity) mtnN Cytoplasmic None 4.54 24525.0 Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961) GeneCards mtnN GenBank Gene Database AE003852 GenBank Protein Database 9654392 UniProtKB Q9KPI8 UniProt Accession MTNN_VIBCH 5'-methylthioadenosine nucleosidase AdoHcy nucleosidase MTA nucleosidase MTA/SAH nucleosidase MTAN S-adenosylhomocysteine nucleosidase SAH nucleosidase SRH nucleosidase >5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase MKIGIIGAMQQEVAILKDLIEDVQEVNQAGCTFYSGQIQGVDVVLLQSGIGKVSAALGTA LLISQYAPDVVINTGSAGGFDASLNVGDVVISSEVRHHDADVTAFGYEIGQMAGQPAAFK ADEKLMTVAEQALAQLPNTHAVRGLICTGDAFVCTAERQQFIRQHFPSVVAVEMEASAIA QTCHQFKVPFVVVRAISDVADKESPLSFEEFLPLAAKSSSAMVLKMVELLK >129 bp TTGAGATATGTGGATCTTTATGTGGGTAGCACGGGCAAAATGTGTGAGGATCTTAGTTAT CGGTCGAAAAATAATGTGAATAACTTAGATCTTATTCACTGGATCGACGATCCAGCGCTG GCGATCTGA PF01048 PNP_UDP_1 function methylthioadenosine nucleosidase activity function adenosylhomocysteine nucleosidase activity function hydrolase activity function hydrolase activity, acting on glycosyl bonds function hydrolase activity, hydrolyzing N-glycosyl compounds function catalytic activity process metabolism process cellular metabolism process amino acid metabolism process methionine salvage process amino acid and derivative metabolism process nucleoside catabolism process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process nucleoside metabolism process sulfur amino acid metabolism process physiological process process methionine metabolism "

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

The resource does not appear as an object

Context graph