Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02075"

PredicateValue (sorted: default)
rdfs:label
"(1s)-1(9-Deazahypoxanthin-9yl)1,4-Dideoxy-1,4-Imino-D-Ribitol-5-Phosphate"
rdf:type
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 Pyrimidones Substituted Pyrroles Organic Phosphoric Acids Organophosphate Esters Pyrrolidines Secondary Alcohols 1,2-Diols 1,2-Aminoalcohols Dialkylamines Polyamines pyrimidone organic phosphate substituted pyrrole phosphoric acid ester pyrimidine pyrrolidine pyrrole 1,2-diol 1,2-aminoalcohol secondary alcohol polyamine secondary amine secondary aliphatic amine amine alcohol organonitrogen compound logP -1.9 ALOGPS logS -1.8 ALOGPS Water Solubility 5.19e+00 g/l ALOGPS logP -4.4 ChemAxon IUPAC Name {[(2S,3S,4S,5S)-3,4-dihydroxy-5-{4-oxopyrrolo[3,2-d]pyrimidin-7-yl}pyrrolidin-2-yl]methoxy}phosphonic acid ChemAxon Traditional IUPAC Name [(2S,3S,4S,5S)-3,4-dihydroxy-5-{4-oxopyrrolo[3,2-d]pyrimidin-7-yl}pyrrolidin-2-yl]methoxyphosphonic acid ChemAxon Molecular Weight 345.2252 ChemAxon Monoisotopic Weight 345.060010334 ChemAxon SMILES O[C@H]1[C@H](COP(O)(O)=O)N[C@H]([C@@H]1O)c1cnc2c1N=CNC2=O ChemAxon Molecular Formula C11H14N4O7P ChemAxon InChI InChI=1S/C11H14N4O7P/c16-9-5(2-22-23(19,20)21)15-7(10(9)17)4-1-12-8-6(4)13-3-14-11(8)18/h1,3,5,7,9-10,15-17H,2H2,(H,13,14,18)(H2,19,20,21)/t5-,7-,9-,10-/m0/s1 ChemAxon InChIKey InChIKey=BNBLIPPJYHOAER-YNAXYJCJSA-N ChemAxon Polar Surface Area (PSA) 177.89 ChemAxon Refractivity 72.38 ChemAxon Polarizability 30.21 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 9 ChemAxon H Bond Donor Count 6 ChemAxon pKa (strongest acidic) 1.5 ChemAxon pKa (strongest basic) 8.68 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon PubChem Compound 46936297 PubChem Substance 46507599 PDB IRP BE0001516 Hypoxanthine-guanine-xanthine phosphoribosyltransferase Plasmodium falciparum (isolate FCR-3 / Gambia) # 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 unknown Hypoxanthine-guanine-xanthine phosphoribosyltransferase Nucleotide transport and metabolism Works with guanine, hypoxanthine and xanthine LACZ Cytoplasm None 7.49 26349.0 Plasmodium falciparum (isolate FCR-3 / Gambia) GenBank Gene Database X16279 GenBank Protein Database 9914 UniProtKB P20035 UniProt Accession HGXR_PLAFG EC 2.4.2.- HGPRT HGXPRT HGXPRTase >Hypoxanthine-guanine-xanthine phosphoribosyltransferase MPIPNNPGAGENAFDPVFVNDDDGYDLDSFMIPAHYKKYLTKVLVPNGVIKNRIEKLAYD IKKVYNNEEFHILCLLKGSRGFFTALLKHLSRIHNYSAVETSKPLFGEHYVRVKSYCNDQ STGTLEIVSEDLSCLKGKHVLIVEDIIDTGKTLVKFCEYLKKFEIKTVAIACLFIKRTPL WNGFKADFVGFSIPDHFVVGYSLDYNEIFRDLDHCCLVNDEGKKKYKATSL >696 bp ATGCCAATACCAAATAATCCAGGAGCTGGTGAAAATGCCTTTGATCCCGTTTTCGTAAAC GATGACGATGGTTATGACCTTGATTCTTTTATGATCCCTGCACATTATAAAAAATATCTT ACCAAGGTCTTAGTTCCAAATGGTGTCATAAAAAACCGTATTGAGAAATTGGCTTATGAT ATTAAAAAGGTGTACAACAATGAAGAGTTTCATATTCTTTGTTTGTTGAAAGGTTCTCGT GGTTTTTTCACTGCTCTCTTAAAGCATTTAAGTAGAATACATAATTATAGTGCCGTTGAG ACGTCCAAACCATTATTTGGAGAACACTACGTACGTGTGAAATCCTATTGTAATGACCAA TCAACAGGTACATTAGAAATTGTAAGTGAAGATTTATCTTGTTTAAAAGGAAAACATGTA TTAATTGTTGAAGATATTATTGATACTGGTAAAACATTAGTAAAGTTTTGTGAATACTTA AAGAAATTTGAAATAAAAACCGTTGCCATCGCTTGTCTTTTTATTAAAAGAACACCTTTG TGGAATGGTTTTAAAGCTGATTTCGTTGGATTCTCAATTCCTGATCACTTTGTTGTTGGT TATAGTTTAGACTATAATGAAATTTTCAGAGATCTTGACCATTGTTGTTTGGTTAATGAT GAGGGAAAAAAGAAATATAAAGCAACTTCATTATAA PF00156 Pribosyltran component cell component intracellular component cytoplasm function transferase activity function transferase activity, transferring glycosyl groups function transferase activity, transferring pentosyl groups function hypoxanthine phosphoribosyltransferase activity function catalytic activity process metabolism process purine salvage process cellular metabolism process purine ribonucleoside salvage process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process physiological process process nucleoside metabolism "
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