Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02594"

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drugbank:drugs
drugbank:description
" 951-77-9 experimental Graham A. Mock, Douglas H. Lovern, "N.sup.4 -substituted 2'-deoxycytidine compounds, oligonucleotides including N.sup.4 -labeled 2'-deoxycytidines, and a process for making oligonucleotides with N-modified 2'-deoxycytidines." U.S. Patent US5633364, issued April, 1995. This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2. Pyrimidine 2'-deoxyribonucleosides and Analogues Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Glycosyl Compounds Pentoses Pyrimidones Aminopyrimidines and Derivatives Primary Aromatic Amines Hydropyrimidines Tetrahydrofurans Oxolanes Secondary Alcohols Primary Alcohols Ethers Polyamines pentose monosaccharide aminopyrimidine pyrimidone primary aromatic amine pyrimidine monosaccharide hydropyrimidine tetrahydrofuran oxolane secondary alcohol polyamine primary alcohol ether organonitrogen compound primary amine alcohol amine logP -1.9 ALOGPS logS -1.2 ALOGPS Water Solubility 1.59e+01 g/l ALOGPS logP -1.9 ChemAxon IUPAC Name 4-amino-1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one ChemAxon Traditional IUPAC Name 2'-deoxycytidine ChemAxon Molecular Weight 227.2172 ChemAxon Monoisotopic Weight 227.090605919 ChemAxon SMILES NC1=NC(=O)N(C=C1)[C@H]1C[C@@H](O)[C@H](CO)O1 ChemAxon Molecular Formula C9H13N3O4 ChemAxon InChI InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8-/m1/s1 ChemAxon InChIKey InChIKey=CKTSBUTUHBMZGZ-GKROBHDKSA-N ChemAxon Polar Surface Area (PSA) 108.38 ChemAxon Refractivity 53.03 ChemAxon Polarizability 21.54 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 13.89 ChemAxon pKa (strongest basic) -0.0012 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon logP -1.77 HANSCH,C ET AL. (1995) ChEBI 15698 PubChem Compound 453557 PubChem Substance 46508326 KEGG Compound C00881 ChemSpider 617 PDB DCZ BE0002018 Class B acid phosphatase 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 Class B acid phosphatase Dephosphorylates several organic phosphomonoesters and catalyzes the transfer of low-energy phosphate groups from phosphomonoesters to hydroxyl groups of various organic compounds. Preferentially acts on aryl phosphoesters. Might function as a broad-spectrum dephosphorylating enzyme able to scavenge both 3'- and 5'-nucleotides and also additional organic phosphomonoesters aphA Periplasm (Potential) None 7.6 26104.0 Escherichia coli (strain K12) GenBank Gene Database U51210 GenBank Protein Database 1256442 UniProtKB P0AE22 UniProt Accession APHA_ECOLI EC 3.1.3.2 >Class B acid phosphatase precursor MRKITQAISAVCLLFALNSSAVALASSPSPLNPGTNVARLAEQAPIHWVSVAQIENSLAG RPPMAVGFDIDDTVLFSSPGFWRGKKTFSPESEDYLKNPVFWEKMNNGWDEFSIPKEVAR QLIDMHVRRGDAIFFVTGRSPTKTETVSKTLADNFHIPATNMNPVIFAGDKPGQNTKSQW LQDKNIRIFYGDSDNDITAARDVGARGIRILRASNSTYKPLPQAGAFGEEVIVNSEY >714 bp ATGCGCAAGATCACACAGGCAATCAGTGCCGTTTGCTTATTGTTCGCTCTAAACAGTTCC GCTGTTGCCCTGGCCTCATCTCCTTCACCGCTTAACCCTGGGACTAACGTTGCCAGGCTT GCTGAACAGGCACCCATTCATTGGGTTTCGGTCGCACAAATTGAAAATAGCCTCGCAGGG CGTCCGCCAATGGCGGTGGGGTTTGATATCGATGACACGGTACTTTTTTCCAGTCCGGGC TTCTGGCGCGGCAAAAAAACCTTCTCGCCAGAAAGCGAAGATTATCTGAAAAATCCTGTG TTCTGGGAAAAAATGAACAATGGCTGGGATGAATTCAGCATTCCAAAAGAGGTCGCTCGC CAGCTGATTGATATGCATGTACGCCGCGGTGACGCGATCTTCTTTGTGACTGGTCGTAGC CCGACGAAAACAGAAACGGTTTCAAAAACGCTGGCGGATAATTTTCATATTCCTGCCACC AACATGAATCCGGTGATCTTTGCGGGCGATAAACCAGGGCAAAATACAAAATCGCAATGG CTGCAGGATAAAAATATCCGAATTTTTTATGGCGATTCTGATAATGATATTACCGCCGCA CGCGATGTCGGCGCTCGTGGTATCCGCATTCTGCGCGCCTCCAACTCTACCTACAAACCC TTGCCACAAGCGGGTGCGTTTGGTGAAGAGGTGATCGTCAATTCAGAATACTGA PF03767 Acid_phosphat_B component periplasmic space component periplasmic space (sensu Gram-negative Bacteria) component cell function acid phosphatase activity function catalytic activity function hydrolase activity function hydrolase activity, acting on ester bonds function phosphoric ester hydrolase activity function phosphoric monoester hydrolase activity BE0004639 Thymidine kinase 2, mitochondrial 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 Thymidine kinase 2, mitochondrial TK2 Human UniProtKB O00142 UniProt Accession KITM_HUMAN BE0002804 Deoxycytidine kinase Human unknown Deoxycytidine kinase Involved in ATP binding Required for the phosphorylation of several deoxyribonucleosides and certain nucleoside analogs widely employed as antiviral and chemotherapeutic agents DCK 4q13.3-q21.1 Nucleus None 4.88 30519.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:2704 GenAtlas DCK GenBank Gene Database M60527 UniProtKB P27707 UniProt Accession DCK_HUMAN dCK EC 2.7.1.74 >Deoxycytidine kinase MATPPKRSCPSFSASSEGTRIKKISIEGNIAAGKSTFVNILKQLCEDWEVVPEPVARWCN VQSTQDEFEELTMSQKNGGNVLQMMYEKPERWSFTFQTYACLSRIRAQLASLNGKLKDAE KPVLFFERSVYSDRYIFASNLYESECMNETEWTIYQDWHDWMNNQFGQSLELDGIIYLQA TPETCLHRIYLRGRNEEQGIPLEYLEKLHYKHESWLLHRTLKTNFDYLQEVPILTLDVNE DFKDKYESLVEKVKEFLSTL >783 bp ATGGCCACCCCGCCCAAGAGAAGCTGCCCGTCTTTCTCAGCCAGCTCTGAGGGGACCCGC ATCAAGAAAATCTCCATCGAAGGGAACATCGCTGCAGGGAAGTCAACATTTGTGAATATC CTTAAACAATTGTGTGAAGATTGGGAAGTGGTTCCTGAACCTGTTGCCAGATGGTGCAAT GTTCAAAGTACTCAAGATGAATTTGAGGAACTTACAATGTCTCAGAAAAATGGTGGGAAT GTTCTTCAGATGATGTATGAGAAACCTGAACGATGGTCTTTTACCTTCCAAACATATGCC TGTCTCAGTCGAATAAGAGCTCAGCTTGCCTCTCTGAATGGCAAGCTCAAAGATGCAGAG AAACCTGTATTATTTTTTGAACGATCTGTGTATAGTGACAGGTATATTTTTGCATCTAAT TTGTATGAATCTGAATGCATGAATGAGACAGAGTGGACAATTTATCAAGACTGGCATGAC TGGATGAATAACCAATTTGGCCAAAGCCTTGAATTGGATGGAATCATTTATCTTCAAGCC ACTCCAGAGACATGCTTACATAGAATATATTTACGGGGAAGAAATGAAGAGCAAGGCATT CCTCTTGAATATTTAGAGAAGCTTCATTATAAACATGAAAGCTGGCTCCTGCATAGGACA CTGAAAACCAACTTCGATTATCTTCAAGAGGTGCCTATCTTAACACTGGATGTTAATGAA GACTTTAAAGACAAATATGAAAGTCTGGTTGAAAAGGTCAAAGAGTTTTTGAGTACTTTG TGA PF01712 dNK function phosphotransferase activity, alcohol group as acceptor function catalytic activity function nucleotide binding function purine nucleotide binding function adenyl nucleotide binding function transferase activity function ATP binding function transferase activity, transferring phosphorus-containing groups function binding process metabolism process cellular metabolism process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process physiological process BE0002804 Deoxycytidine kinase Human unknown Deoxycytidine kinase Involved in ATP binding Required for the phosphorylation of several deoxyribonucleosides and certain nucleoside analogs widely employed as antiviral and chemotherapeutic agents DCK 4q13.3-q21.1 Nucleus None 4.88 30519.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:2704 GenAtlas DCK GenBank Gene Database M60527 UniProtKB P27707 UniProt Accession DCK_HUMAN dCK EC 2.7.1.74 >Deoxycytidine kinase MATPPKRSCPSFSASSEGTRIKKISIEGNIAAGKSTFVNILKQLCEDWEVVPEPVARWCN VQSTQDEFEELTMSQKNGGNVLQMMYEKPERWSFTFQTYACLSRIRAQLASLNGKLKDAE KPVLFFERSVYSDRYIFASNLYESECMNETEWTIYQDWHDWMNNQFGQSLELDGIIYLQA TPETCLHRIYLRGRNEEQGIPLEYLEKLHYKHESWLLHRTLKTNFDYLQEVPILTLDVNE DFKDKYESLVEKVKEFLSTL >783 bp ATGGCCACCCCGCCCAAGAGAAGCTGCCCGTCTTTCTCAGCCAGCTCTGAGGGGACCCGC ATCAAGAAAATCTCCATCGAAGGGAACATCGCTGCAGGGAAGTCAACATTTGTGAATATC CTTAAACAATTGTGTGAAGATTGGGAAGTGGTTCCTGAACCTGTTGCCAGATGGTGCAAT GTTCAAAGTACTCAAGATGAATTTGAGGAACTTACAATGTCTCAGAAAAATGGTGGGAAT GTTCTTCAGATGATGTATGAGAAACCTGAACGATGGTCTTTTACCTTCCAAACATATGCC TGTCTCAGTCGAATAAGAGCTCAGCTTGCCTCTCTGAATGGCAAGCTCAAAGATGCAGAG AAACCTGTATTATTTTTTGAACGATCTGTGTATAGTGACAGGTATATTTTTGCATCTAAT TTGTATGAATCTGAATGCATGAATGAGACAGAGTGGACAATTTATCAAGACTGGCATGAC TGGATGAATAACCAATTTGGCCAAAGCCTTGAATTGGATGGAATCATTTATCTTCAAGCC ACTCCAGAGACATGCTTACATAGAATATATTTACGGGGAAGAAATGAAGAGCAAGGCATT CCTCTTGAATATTTAGAGAAGCTTCATTATAAACATGAAAGCTGGCTCCTGCATAGGACA CTGAAAACCAACTTCGATTATCTTCAAGAGGTGCCTATCTTAACACTGGATGTTAATGAA GACTTTAAAGACAAATATGAAAGTCTGGTTGAAAAGGTCAAAGAGTTTTTGAGTACTTTG TGA PF01712 dNK function phosphotransferase activity, alcohol group as acceptor function catalytic activity function nucleotide binding function purine nucleotide binding function adenyl nucleotide binding function transferase activity function ATP binding function transferase activity, transferring phosphorus-containing groups function binding process metabolism process cellular metabolism process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process physiological process unknown unknown "
rdfs:label
"2'-Deoxycytidine"
owl:sameAs
drug:EXPT01140

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