Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08606"

Predicate	Value (sorted: default)
rdfs:label	"(3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)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 -0.07 ALOGPS logS -2.5 ALOGPS Water Solubility 9.96e-01 g/l ALOGPS logP 0.44 ChemAxon IUPAC Name (3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol ChemAxon Traditional IUPAC Name (3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol ChemAxon Molecular Weight 293.388 ChemAxon Monoisotopic Weight 293.131030945 ChemAxon SMILES [H][C@]1(O)CN(CC2=CNC3=C(N)N=CN=C23)C[C@]1([H])CSC ChemAxon Molecular Formula C13H19N5OS ChemAxon InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1 ChemAxon InChIKey InChIKey=NTHMDFGHOCNNOE-ZJUUUORDSA-N ChemAxon Polar Surface Area (PSA) 91.06 ChemAxon Refractivity 82.52 ChemAxon Polarizability 31.34 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 13.47 ChemAxon pKa (strongest basic) 8.71 ChemAxon Physiological Charge 1 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 656970 PubChem Substance 99445077 ChemSpider 571206 PDB TDI BE0002007 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase Escherichia coli (strain K12) # 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 Responsible for cleavage of the glycosidic bond in both 5'-methylthioadenosine (MTA) and S-adenosylhomocysteine (SAH) mtnN Cytoplasmic None 4.9 24354.0 Escherichia coli (strain K12) GenBank Gene Database U24438 GenBank Protein Database 2981267 UniProtKB P0AF12 UniProt Accession MTNN_ECOLI 5'-methylthioadenosine nucleosidase EC 3.2.2.9 P46 S-adenosylhomocysteine nucleosidase >MTA/SAH nucleosidase MKIGIIGAMEEEVTLLRDKIENRQTISLGGCEIYTGQLNGTEVALLKSGIGKVAAALGAT LLLEHCKPDVIINTGSAGGLAPTLKVGDIVVSDEARYHDADVTAFGYEYGQLPGCPAGFK ADDKLIAAAEACIAELNLNAVRGLIVSGDAFINGSVGLAKIRHNFPQAIAVEMEATAIAH VCHNFNVPFVVVRAISDVADQQSHLSFDEFLAVAAKQSSLMVESLVQKLAHG >699 bp ATGAAAATCGGCATCATTGGTGCAATGGAAGAAGAAGTTACGCTGCTGCGTGACAAAATC GAAAACCGTCAAACTATCAGTCTCGGCGGTTGCGAAATCTATACCGGCCAACTGAATGGA ACCGAGGTTGCGCTTCTGAAATCGGGCATCGGTAAAGTCGCTGCGGCGCTGGGTGCCACT TTGCTGTTGGAACACTGCAAGCCAGATGTGATTATTAACACCGGTTCTGCCGGTGGCCTG GCACCAACGTTGAAAGTGGGCGATATCGTTGTCTCGGACGAAGCACGTTATCACGACGCG GATGTCACGGCATTTGGTTATGAATACGGTCAGTTACCAGGCTGTCCGGCAGGCTTTAAA GCTGACGATAAACTGATCGCTGCCGCTGAGGCCTGCATTGCCGAACTGAATCTTAACGCT GTACGTGGCCTGATTGTTAGCGGCGACGCTTTCATCAACGGTTCTGTTGGTCTGGCGAAA ATCCGCCACAACTTCCCACAGGCCATTGCTGTAGAGATGGAAGCGACGGCAATCGCCCAT GTCTGCCACAATTTCAACGTCCCGTTTGTTGTCGTACGCGCCATCTCCGACGTGGCCGAT CAACAGTCTCATCTTAGCTTCGATGAGTTCCTGGCTGTTGCCGCTAAACAGTCCAGCCTG ATGGTTGAGTCACTGGTGCAGAAACTTGCACATGGCTAA 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 "

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