Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02745"

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drugbank:description
" 58-96-8 experimental Hidetoshi Yoshioka, Eiji Kojima, Shuji Ishida, Hiroyuki Yoshioka, Kunichika Murakami, "2',3'-dideoxy-4-thio-uridine derivatives, process for their preparation and antivirus agents using them." U.S. Patent US4954485, issued June, 1970. This compound belongs to the pyrimidine nucleosides and analogues. These are compounds comprising a pyrimidine base attached to a sugar. Pyrimidine Nucleosides and Analogues Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Glycosyl Compounds Pentoses Pyrimidones Hydropyrimidines Tetrahydrofurans Oxolanes Secondary Alcohols 1,2-Diols Primary Alcohols Ethers Polyamines pentose monosaccharide pyrimidone hydropyrimidine monosaccharide pyrimidine oxolane tetrahydrofuran secondary alcohol 1,2-diol ether primary alcohol polyamine alcohol organonitrogen compound amine logP -1.8 ALOGPS logS -0.26 ALOGPS Water Solubility 1.35e+02 g/l ALOGPS logP -2.4 ChemAxon IUPAC Name 1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione ChemAxon Traditional IUPAC Name uridine ChemAxon Molecular Weight 244.2014 ChemAxon Monoisotopic Weight 244.069536126 ChemAxon SMILES OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=CC(=O)NC1=O ChemAxon Molecular Formula C9H12N2O6 ChemAxon InChI InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7+,8+/m0/s1 ChemAxon InChIKey InChIKey=DRTQHJPVMGBUCF-ZAKLUEHWSA-N ChemAxon Polar Surface Area (PSA) 119.33 ChemAxon Refractivity 52.57 ChemAxon Polarizability 21.75 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 9.7 ChemAxon pKa (strongest basic) -3 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Melting Point 165 °C PhysProp logP -1.98 HANSCH,C ET AL. (1995) ChEBI 16704 PubChem Compound 453551 PubChem Substance 46507015 KEGG Compound C00299 PharmGKB PA130230921 PDB URI Wikipedia Uridine SMP00219 UMP Synthase Deiciency (Orotic Aciduria) DB00130 L-Glutamine DB01373 Calcium DB01592 Iron DB01593 Zinc DB02431 Cytidine-5'-Triphosphate DB02745 Uridine DB02957 Orotidine-5'-Monophosphate DB03107 Beta-Alanine DB03247 Riboflavin Monophosphate DB03419 Uracil DB03435 Uridine-5'-Diphosphate DB03685 Uridine-5'-Monophosphate DB04485 Deoxythymidine P27708 Q02127 A8K5J1 Q8WVQ1 Q5EBM0 O75414 Q9UIJ7 Q9BY32 P17812 P49902 Q9Y2T3 O95045 Q12882 Q14117 Q9UBR1 P31350 Q7LG56 Q9NWZ5 P32320 P19971 P32321 P04183 P04818 P33316 SMP00172 Beta Ureidopropionase Deficiency DB00130 L-Glutamine DB01373 Calcium DB01592 Iron DB01593 Zinc DB02431 Cytidine-5'-Triphosphate DB02745 Uridine DB02957 Orotidine-5'-Monophosphate DB03107 Beta-Alanine DB03247 Riboflavin Monophosphate DB03419 Uracil DB03435 Uridine-5'-Diphosphate DB03685 Uridine-5'-Monophosphate DB04485 Deoxythymidine P27708 Q02127 A8K5J1 Q8WVQ1 Q5EBM0 O75414 Q9UIJ7 Q9BY32 P17812 P49902 Q9Y2T3 O95045 Q12882 Q14117 Q9UBR1 P31350 Q7LG56 Q9NWZ5 P32320 P19971 P32321 P04183 P04818 P33316 SMP00178 Dihydropyrimidinase Deficiency DB00130 L-Glutamine DB01373 Calcium DB01592 Iron DB01593 Zinc DB02431 Cytidine-5'-Triphosphate DB02745 Uridine DB02957 Orotidine-5'-Monophosphate DB03107 Beta-Alanine DB03247 Riboflavin Monophosphate DB03419 Uracil DB03435 Uridine-5'-Diphosphate DB03685 Uridine-5'-Monophosphate DB04485 Deoxythymidine P27708 Q02127 A8K5J1 Q8WVQ1 Q5EBM0 O75414 Q9UIJ7 Q9BY32 P17812 P49902 Q9Y2T3 O95045 Q12882 Q14117 Q9UBR1 P31350 Q7LG56 Q9NWZ5 P32320 P19971 P32321 P04183 P04818 P33316 SMP00202 MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy) DB00130 L-Glutamine DB01373 Calcium DB01592 Iron DB01593 Zinc DB02431 Cytidine-5'-Triphosphate DB02745 Uridine DB02957 Orotidine-5'-Monophosphate DB03107 Beta-Alanine DB03247 Riboflavin Monophosphate DB03419 Uracil DB03435 Uridine-5'-Diphosphate DB03685 Uridine-5'-Monophosphate DB04485 Deoxythymidine P27708 Q02127 A8K5J1 Q8WVQ1 Q5EBM0 O75414 Q9UIJ7 Q9BY32 P17812 P49902 Q9Y2T3 O95045 Q12882 Q14117 Q9UBR1 P31350 Q7LG56 Q9NWZ5 P32320 P19971 P32321 P04183 P04818 P33316 SMP00046 Pyrimidine Metabolism DB00130 L-Glutamine DB01373 Calcium DB01592 Iron DB01593 Zinc DB02431 Cytidine-5'-Triphosphate DB02745 Uridine DB02957 Orotidine-5'-Monophosphate DB03107 Beta-Alanine DB03247 Riboflavin Monophosphate DB03419 Uracil DB03435 Uridine-5'-Diphosphate DB03685 Uridine-5'-Monophosphate DB04485 Deoxythymidine P27708 Q02127 A8K5J1 Q8WVQ1 Q5EBM0 O75414 Q9UIJ7 Q9BY32 P17812 P49902 Q9Y2T3 O95045 Q12882 Q14117 Q9UBR1 P31350 Q7LG56 Q9NWZ5 P32320 P19971 P32321 P04183 P04818 P33316 BE0004434 U6 snRNA-associated Sm-like protein LSm6 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 U6 snRNA-associated Sm-like protein LSm6 LSM6 Human UniProtKB P62312 UniProt Accession LSM6_HUMAN BE0002061 Nucleoside-specific channel-forming protein tsx Escherichia coli (strain K12) # 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 Nucleoside-specific channel-forming protein tsx Cell wall/membrane/envelope biogenesis Constitutes the receptor for colicin K and phage T6, and functions as substrate-specific channel for nucleosides and deoxynucleosides tsx Cell outer membrane; multi-pass membrane protein None 4.93 33589.0 Escherichia coli (strain K12) GenBank Gene Database M57685 UniProtKB P0A927 UniProt Accession TSX_ECOLI >Nucleoside-specific channel-forming protein tsx precursor MKKTLLAAGAVLALSSSFTVNAAENDKPQYLSDWWHQSVNVVGSYHTRFGPQIRNDTYLE YEAFAKKDWFDFYGYADAPVFFGGNSDAKGIWNHGSPLFMEIEPRFSIDKLTNTDLSFGP FKEWYFANNYIYDMGRNKDGRQSTWYMGLGTDIDTGLPMSLSMNVYAKYQWQNYGAANEN EWDGYRFKIKYFVPITDLWGGQLSYIGFTNFDWGSDLGDDSGNAINGIKTRTNNSIASSH ILALNYDHWHYSVVARYWHDGGQWNDDAELNFGNGNFNVRSTGWGGYLVVGYNF PF03502 Channel_Tsx component outer membrane component outer membrane (sensu Gram-negative Bacteria) component cell component membrane function transporter activity function nucleobase, nucleoside, nucleotide and nucleic acid transporter activity function nucleoside transporter activity BE0001204 Equilibrative nucleoside transporter 1 Human # Marce S, Molina-Arcas M, Villamor N, Casado FJ, Campo E, Pastor-Anglada M, Colomer D: Expression of human equilibrative nucleoside transporter 1 (hENT1) and its correlation with gemcitabine uptake and cytotoxicity in mantle cell lymphoma. Haematologica. 2006 Jul;91(7):895-902. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/16818276 unknown Equilibrative nucleoside transporter 1 Involved in nucleoside transmembrane transporter activity Mediates both influx and efflux of nucleosides across the membrane (equilibrative transporter). It is sensitive (ES) to low concentrations of the inhibitor nitrobenzylmercaptopurine riboside (NBMPR) and is sodium-independent. It has a higher affinity for adenosine. Inhibited by dipyridamole and dilazep (anticancer chemotherapeutics drugs) SLC29A1 6p21.2-p21.1 Membrane; multi-pass membrane protein 13-29 83-107 112-130 139-157 175-199 207-227 292-311 324-342 360-378 394-413 432-452 8.39 50220.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:11003 GenAtlas SLC29A1 GeneCards SLC29A1 GenBank Gene Database U81375 GenBank Protein Database 1845345 UniProtKB Q99808 UniProt Accession S29A1_HUMAN Equilibrative NBMPR-sensitive nucleoside transporter Equilibrative nitrobenzylmercaptopurine riboside-sensitive nucleoside transporter Nucleoside transporter, es-type Solute carrier family 29 member 1 >Equilibrative nucleoside transporter 1 MTTSHQPQDRYKAVWLIFFMLGLGTLLPWNFFMTATQYFTNRLDMSQNVSLVTAELSKDA QASAAPAAPLPERNSLSAIFNNVMTLCAMLPLLLFTYLNSFLHQRIPQSVRILGSLVAIL LVFLITAILVKVQLDALPFFVITMIKIVLINSFGAILQGSLFGLAGLLPASYTAPIMSGQ GLAGFFASVAMICAIASGSELSESAFGYFITACAVIILTIICYLGLPRLEFYRYYQQLKL EGPGEQETKLDLISKGEEPRAGKEESGVSVSNSQPTNESHSIKAILKNISVLAFSVCFIF TITIGMFPAVTVEVKSSIAGSSTWERYFIPVSCFLTFNIFDWLGRSLTAVFMWPGKDSRW LPSLVLARLVFVPLLLLCNIKPRRYLTVVFEHDAWFIFFMAAFAFSNGYLASLCMCFGPK KVKPAEAETAGAIMAFFLCLGLALGAVFSFLFRAIV >1371 bp ATGACAACCAGTCACCAGCCTCAGGACAGATACAAAGCTGTCTGGCTTATCTTCTTCATG CTGGGTCTGGGAACGCTGCTCCCGTGGAATTTTTTCATGACGGCCACTCAGTATTTCACA AACCGCCTGGACATGTCCCAGAATGTGTCCTTGGTCACTGCTGAACTGAGCAAGGACGCC CAGGCGTCAGCCGCCCCTGCAGCACCCTTGCCTGAGCGGAACTCTCTCAGTGCCATCTTC AACAATGTCATGACCCTATGTGCCATGCTGCCCCTGCTGTTATTCACCTACCTCAACTCC TTCCTGCATCAGAGGATCCCCCAGTCCGTACGGATCCTGGGCAGCCTGGTGGCCATCCTG CTGGTGTTTCTGATCACTGCCATCCTGGTGAAGGTGCAGCTGGATGCTCTGCCCTTCTTT GTCATCACCATGATCAAGATCGTGCTCATTAATTCATTTGGTGCCATCCTGCAGGGCAGC CTGTTTGGTCTGGCTGGCCTTCTGCCTGCCAGCTACACGGCCCCCATCATGAGTGGCCAG GGCCTAGCAGGCTTCTTTGCCTCCGTGGCCATGATCTGCGCTATTGCCAGTGGCTCGGAA CTATCAGAAAGTGCCTTCGGCTACTTTATCACAGCCTGTGCTGTTATCATTTTGACCATC ATCTGTTACCTGGGCCTGCCCCGCCTGGAATTCTACCGCTACTACCAGCAGCTCAAGCTT GAAGGACCCGGGGAGCAGGAGACCAAGTTGGACCTCATTAGCAAAGGAGAGGAGCCAAGA GCAGGCAAAGAGGAATCTGGAGTTTCAGTCTCCAACTCTCAGCCCACCAATGAAAGCCAC TCTATCAAAGCCATCCTGAAAAATATCTCAGTCCTGGCTTTCTCTGTCTGCTTCATCTTC ACTATCACCATTGGGATGTTTCCAGCCGTGACTGTTGAGGTCAAGTCCAGCATCGCAGGC AGCAGCACCTGGGAACGTTACTTCATTCCTGTGTCCTGTTTCTTGACTTTCAATATCTTT GACTGGTTGGGCCGGAGCCTCACAGCTGTATTCATGTGGCCTGGGAAGGACAGCCGCTGG CTGCCAAGCCTGGTGCTGGCCCGGCTGGTGTTTGTGCCACTGCTGCTGCTGTGCAACATT AAGCCCCGCCGCTACCTGACTGTGGTCTTCGAGCACGATGCCTGGTTCATCTTCTTCATG GCTGCCTTTGCCTTCTCCAACGGCTACCTCGCCAGCCTCTGCATGTGCTTCGGGCCCAAG AAAGTGAAGCCAGCTGAGGCAGAGACCGCAGGAGCCATCATGGCCTTCTTCCTGTGTCTG GGTCTGGCACTGGGGGCTGTTTTCTCCTTCCTGTTCCGGGCAATTGTGTGA PF01733 Nucleoside_tran component cell component membrane function transporter activity function nucleobase, nucleoside, nucleotide and nucleic acid transporter activity function nucleoside transporter activity process transport process physiological process process cellular physiological process "
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"Uridine"
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All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

The resource appears as object in 13 triples

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