Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02850"

Predicate	Value (sorted: none)
ns1:description	" experimental This compound belongs to the biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. Biphenyls and Derivatives Organic Compounds Benzenoids Benzene and Substituted Derivatives Biphenyls and Derivatives Acetophenones Anisoles Benzoyl Derivatives Toluenes Alkyl Aryl Ethers Pyrazoles Ketones Polyamines Enolates acetophenone phenol ether anisole benzoyl toluene alkyl aryl ether pyrazole azole ketone polyamine enolate ether amine carbonyl group organonitrogen compound logP 4.06 ALOGPS logS -5 ALOGPS Water Solubility 4.36e-03 g/l ALOGPS logP 4.21 ChemAxon IUPAC Name {4-[(1-tert-butyl-5-hydroxy-1H-pyrazol-4-yl)carbonyl]-2-(4-methoxyphenyl)-3-methylphenyl}(methyl)-$l^{4}-sulfanediol ChemAxon Traditional IUPAC Name {4-[(1-tert-butyl-5-hydroxypyrazol-4-yl)carbonyl]-2-(4-methoxyphenyl)-3-methylphenyl}(methyl)-$l^{4}-sulfanediol ChemAxon Molecular Weight 444.544 ChemAxon Monoisotopic Weight 444.171892706 ChemAxon SMILES COC1=CC=C(C=C1)C1=C(C)C(=CC=C1S(C)(O)O)C(=O)C1=C(O)N(N=C1)C(C)(C)C ChemAxon Molecular Formula C23H28N2O5S ChemAxon InChI InChI=1S/C23H28N2O5S/c1-14-17(21(26)18-13-24-25(22(18)27)23(2,3)4)11-12-19(31(6,28)29)20(14)15-7-9-16(30-5)10-8-15/h7-13,27-29H,1-6H3 ChemAxon InChIKey InChIKey=GXVKJVRSQXCDKX-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 104.81 ChemAxon Refractivity 133.46 ChemAxon Polarizability 48.38 ChemAxon Rotatable Bond Count 6 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 5.9 ChemAxon pKa (strongest basic) 1.24 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon MDDR-Like Rule true ChemAxon PubChem Compound 5287556 PubChem Substance 46508138 PDB 869 BE0000455 4-hydroxyphenylpyruvate dioxygenase 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 4-hydroxyphenylpyruvate dioxygenase Amino acid transport and metabolism HPD 12q24-qter None 7.01 44804.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:5147 GenAtlas HPD GeneCards HPD GenBank Gene Database U29895 GenBank Protein Database 3860238 UniProtKB P32754 UniProt Accession HPPD_HUMAN 4-hydroxyphenylpyruvic acid oxidase 4HPPD EC 1.13.11.27 HPD HPPDase >4-hydroxyphenylpyruvate dioxygenase TTYSDKGAKPERGRFLHFHSVTFWVGNAKQAASFYCSKMGFEPLAYRGLETGSREVVSHV IKQGKIVFVLSSALNPWNKEMGDHLVKHGDGVKDIAFEVEDCDYIVQKARERGAKIMREP WVEQDKFGKVKFAVLQTYGDTTHTLVEKMNYIGQFLPGYEAPAFMDPLLPKLPKCSLEMI DHIVGNQPDQEMVSASEWYLKNLQFHRFWSVDDTQVHTEYSSLRSIVVANYEESIKMPIN EPAPGKKKSQIQEYVDYNGGAGVQHIALKTEDIITAIRHLRERGLEFLSVPSTYYKQLRE KLKTAKIKVKENIDALEELKILVDYDEKGYLLQIFTKPVQDRPTLFLEVIQRHNHQGFGA GNFNSLFKAFEEEQNLRGNLTNMETNGVVPGM >1182 bp ATGACGACTTACAGTGACAAAGGGGCAAAGCCTGAGAGAGGCCGATTCCTCCACTTCCAC TCTGTGACCTTCTGGGTTGGCAACGCCAAGCAGGCCGCGTCATTCTACTGCAGCAAGATG GGCTTTGAACCTCTAGCCTACAGGGGCCTGGAGACCGGTTCCCGGGAGGTGGTCAGCCAT GTAATCAAACAAGGGAAGATTGTGTTTGTCCTCTCCTCAGCGCTCAACCCCTGGAACAAA GAGATGGGCGATCACCTGGTGAAACACGGTGACGGAGTGAAGGACATTGCGTTCGAGGTG GAAGATTGTGACTACATCGTGCAGAAAGCACGGGAACGGGGCGCCAAAATCATGCGGGAG CCCTGGGTAGAGCAAGACAAGTTTGGGAAGGTGAAGTTTGCTGTGCTGCAGACGTATGGG GACACCACACACACCCTGGTGGAGAAGATGAACTACATCGGCCAATTCTTGCCTGGATAT GAGCCCCCAGCGTTCATGGACCCCCTACTTCCTAAACTGCCCAAATGCAGTCTGGAGATG ATCGACCACATTGTGGGAAACCAGCCTGATCAGGAGATGGTGTCCGCCTCCGAATGGTAC CTGAAAAACCTGCAGTTCCACCGCTTCTGGTCCGTGGATGACACGCAGGTGCACACGGAA TATAGCTCTCTGCGATCCATTGTGGTGGCCAACTATGAAGAGTCCATCAAGATGCCCATC AATGAGCCAGCGCCTGGCAAGAAGAAGTCCCAGATCCAGGAATATGTGGACTATAACGGG GGCGCTGGGGTCCAGCACATCGCTCTCAAGACCGAAGACATCATCACAGCGATTCGCCAC TTGAGAGAGAGAGGCCTGGAGTTCTTATCTGTTCCCTCCACGTACTACAAACAACTGCGG GAGAAGCTGAAGACGGCCAAGATCAAGGTGAAGGAGAACATTGATGCCCTGGAGGAGCTG AAAATCCTGGTGGACTACGACGAGAAAGGCTACCTCCTGCAGATCTTCACCAAACCGGTG CAGGACCGGCCCACGCTCTTCCTGGAAGTCATCCAGCGCCACAACCACCAGGGTTTTGGA GCCGGCAACTTCAACTCACTGTTCAAGGCTTTCGAGGAGGAGCAGAACCTGCGGGGTAAC CTCACCAACATGGAGACCAATGGGGTGGTGCCCGGCATGTAA PF00903 Glyoxalase function oxidoreductase activity function oxidoreductase activity, acting on single donors with incorporation of molecular oxygen function oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen function 4-hydroxyphenylpyruvate dioxygenase activity function catalytic activity process amino acid and derivative metabolism process aromatic amino acid family metabolism process physiological process process metabolism process cellular metabolism process amino acid metabolism "
owl:sameAs	?:EXPT00327
rdf:type	ns1:drugs
rdfs:label	"(1-Tert-Butyl-5-Hydroxy-1h-Pyrazol-4-Yl)-(6-Methanesulfonyl-4'-Methoxy-2-Methyl-Biphenyl-3-Yl)-Methanone"

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt

The resource does not appear as an object

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