Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02921"

Predicate	Value (sorted: default)
rdfs:label	"(South)-Methanocarba-Thymidine"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone. Pyrimidones Organic Compounds Heterocyclic Compounds Diazines Pyrimidines and Pyrimidine Derivatives Cyclohexanols Hydropyrimidines Cyclic Alcohols and Derivatives Polyamines Primary Alcohols hydropyrimidine cyclic alcohol secondary alcohol polyamine primary alcohol amine alcohol organonitrogen compound logP -0.83 ALOGPS logS -0.81 ALOGPS Water Solubility 3.87e+01 g/l ALOGPS logP -1.6 ChemAxon IUPAC Name 1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)bicyclo[3.1.0]hexan-1-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione ChemAxon Traditional IUPAC Name 1-[(1S,3S,4R,5S)-3-hydroxy-4-(hydroxymethyl)bicyclo[3.1.0]hexan-1-yl]-5-methyl-3H-pyrimidine-2,4-dione ChemAxon Molecular Weight 252.2664 ChemAxon Monoisotopic Weight 252.11100701 ChemAxon SMILES CC1=CN(C(=O)NC1=O)[C@]12C[C@H]1[C@H](CO)[C@@H](O)C2 ChemAxon Molecular Formula C12H16N2O4 ChemAxon InChI InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)12-2-8(12)7(5-15)9(16)3-12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8-,9-,12-/m0/s1 ChemAxon InChIKey InChIKey=XRMLXZVSFIBRRJ-PEFMBERDSA-N ChemAxon Polar Surface Area (PSA) 89.87 ChemAxon Refractivity 62.19 ChemAxon Polarizability 25.29 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 10.3 ChemAxon pKa (strongest basic) -2.6 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 447628 PubChem Substance 46504656 PDB SCT BE0001403 Thymidine kinase HHV-1 # 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 Thymidine kinase Involved in thymidine kinase activity In latent infection, may allow the virus to be reactivated and to grow in cells lacking a high concentration of phosphorylated nucleic acid precursors, such as nerve cells that do not replicate their genome TK - None 7.96 40973.0 HHV-1 GenBank Gene Database X14112 GenBank Protein Database 59524 UniProtKB P03176 UniProt Accession KITH_HHV11 EC 2.7.1.21 >Thymidine kinase MASYPCHQHASAFDQAARSRGHNNRRTALRPRRQQEATEVRPEQKMPTLLRVYIDGPHGM GKTTTTQLLVALGSRDDIVYVPEPMTYWRVLGASETIANIYTTQHRLDQGEISAGDAAVV MTSAQITMGMPYAVTDAVLAPHIGGEAGSSHAPPPALTLIFDRHPIAALLCYPAARYLMG SMTPQAVLAFVALIPPTLPGTNIVLGALPEDRHIDRLAKRQRPGERLDLAMLAAIRRVYG LLANTVRYLQCGGSWREDWGQLSGTAVPPQGAEPQSNAGPRPHIGDTLFTLFRAPELLAP NGDLYNVFAWALDVLAKRLRSMHVFILDYDQSPAGCRDALLQLTSGMVQTHVTTPGSIPT ICDLARTFAREMGEAN >1131 bp TCAGTTAGCCTCCCCCATCTCCCGGGCAAACGTGCGCGCCAGGTCGCAGATCGTCGGTAT GGAGCCTGGGGTGGTGACGTGGGTCTGGACCATCCCGGAGGTAAGTTGCAGCAGGGCGTC CCGGCAGCCGGCGGGCGATTGGTCGTAATCCAGGATAAAGACATGCATGGGACGGAGGCG TTTGGCCAAGACGTCCAAAGCCCAGGCAAACACGTTATACAGGTCGCCGTTGGGGGCCAG CAACTCGGGGGCCCGAAACAGGGTAAATAACGTGTCCCCGATATGGGGTCGTGGGCCCGC GTTGCTCTGGGGCTCGGCACCCTGGGGCGGCACGGCCGCCCCCGAAAGCTGTCCCCAATC CTCCCGCCACGACCCGCCGCCCTGCAGATACCGCACCGTATTGGCAAGCAGCCCATAAAC GCGGCGAATCGCGGCCAGCATAGCCAGGTCAAGCCGCTCGCCGGGGCGCTGGCGTTTGGC CAGGCGGTCGATGTGTCTGTCCTCCGGAAGGGCCCCCAACACGATGTTTGTGCCGGGCAA GGTCGGCGGGATGAGGGCCACGAACGCCAGCACGGCCTGGGGGGTCATGCTGCCCATAAG GTATCGCGCGGCCGGGTAGCACAGGAGGGCGGCGATGGGATGGCGGTCGAAGATGAGGGT GAGGGCCGGGGGCGGGGCATGTGAGCTCCCAGCCTCCCCCCCGATATGAGGAGCCAGAAC GGCGTCGGTCACGGCATAAGGCATGCCCATTGTTATCTGGGCGCTTGTCATTACCACCGC CGCGTCCCCGGCCGATATCTCACCCTGGTCGAGGCGGTGTTGTGTGGTGTAGATGTTCGC GATTGTCTCGGAAGCCCCCAACACCCGCCAGTAAGTCATCGGCTCGGGTACGTAGACGAT ATCGTCGCGCGAACCCAGGGCCACCAGCAGTTGCGTGGTGGTGGTTTTCCCCATCCCGTG GGGACCGTCTATATAAACCCGCAGTAGCGTGGGCATTTTCTGCTCCAGGCGGACTTCCGT GGCTTTTTGTTGCCGGCGAGGGCGCAACGCCGTACGTCGGTTGTTATGGCCGCGAGAACG CGCAGCCTGGTCGAACGCAGACGCGTGTTGATGGCAGGGGTACGAAGCCAT PF00693 Herpes_TK function catalytic activity function nucleotide binding function purine nucleotide binding function adenyl nucleotide binding function nucleobase, nucleoside, nucleotide kinase activity function transferase activity function nucleoside kinase activity function ATP binding function deoxynucleoside kinase activity function transferase activity, transferring phosphorus-containing groups function thymidine kinase activity function binding function kinase activity process nucleotide metabolism process metabolism process pyrimidine nucleotide metabolism process cellular metabolism process pyrimidine nucleotide biosynthesis process pyrimidine nucleoside monophosphate biosynthesis process pyrimidine ribonucleoside monophosphate biosynthesis process TMP biosynthesis process physiological process process nucleobase, nucleoside, nucleotide and nucleic acid metabolism "
owl:sameAs	drug:EXPT02872

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