Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08607"

Predicate	Value (sorted: default)
rdfs:label	"(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring. Benzopyrans Organic Compounds Heterocyclic Compounds Benzopyrans Ortho Cresols Meta Cresols Phenol Ethers Toluenes Alkyl Aryl Ethers Thiazolidinediones N-unsubstituted Carboxylic Acid Imides Secondary Carboxylic Acid Amides Polyamines Carboxylic Acids Enols m-cresol phenol ether o-cresol toluene alkyl aryl ether thiazolidinedione phenol derivative thiazolidinone benzene thiazolidine carboxylic acid imide, n-unsubstituted carboxamide group secondary carboxylic acid amide polyamine ether enol carboxylic acid carboxylic acid derivative organonitrogen compound logP 4.16 ALOGPS logS -5.6 ALOGPS Water Solubility 1.21e-03 g/l ALOGPS logP 5.5 ChemAxon IUPAC Name (5R)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione ChemAxon Traditional IUPAC Name troglitazone ChemAxon Molecular Weight 441.54 ChemAxon Monoisotopic Weight 441.160993669 ChemAxon SMILES [H][C@]1(CC2=CC=C(OC[C@@]3(C)CCC4=C(C)C(O)=C(C)C(C)=C4O3)C=C2)SC(=O)NC1=O ChemAxon Molecular Formula C24H27NO5S ChemAxon InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)/t19-,24-/m1/s1 ChemAxon InChIKey InChIKey=GXPHKUHSUJUWKP-NTKDMRAZSA-N ChemAxon Polar Surface Area (PSA) 84.86 ChemAxon Refractivity 120.99 ChemAxon Polarizability 47.21 ChemAxon Rotatable Bond Count 5 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 6.61 ChemAxon pKa (strongest basic) -4.6 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon Ghose Filter true ChemAxon PubChem Compound 9824580 PubChem Substance 99445078 ChemSpider 8000327 PDB TDZ BE0002887 Cytochrome P450 2C8 Human # 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 Cytochrome P450 2C8 Involved in monooxygenase activity Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. In the epoxidation of arachidonic acid it generates only 14,15- and 11,12-cis-epoxyeicosatrienoic acids. It is the principal enzyme responsible for the metabolism the anti- cancer drug paclitaxel (taxol) CYP2C8 10q23.33 Endoplasmic reticulum None 8.62 55825.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:2622 GenAtlas CYP2C8 GenBank Gene Database M17397 UniProtKB P10632 UniProt Accession CP2C8_HUMAN CYPIIC8 EC 1.14.14.1 P450 form 1 P450 IIC2 P450 MP- 12/MP-20 S-mephenytoin 4-hydroxylase >Cytochrome P450 2C8 MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKV YGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRW KEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICS VVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALT RSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTE TTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSD LVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFK KSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLP PSYQICFIPV >1473 bp ATGGAACCTTTTGTGGTCCTGGTGCTGTGTCTCTCTTTTATGCTTCTCTTTTCACTCTGG AGACAGAGCTGTAGGAGAAGGAAGCTCCCTCCTGGCCCCACTCCTCTTCCTATTATTGGA AATATGCTACAGATAGATGTTAAGGACATCTGCAAATCTTTCACCAATTTCTCAAAAGTC TATGGTCCTGTGTTCACCGTGTATTTTGGCATGAATCCCATAGTGGTGTTTCATGGATAT GAGGCAGTGAAGGAAGCCCTGATTGATAATGGAGAGGAGTTTTCTGGAAGAGGCAATTCC CCAATATCTCAAAGAATTACTAAAGGACTTGGAATCATTTCCAGCAATGGAAAGAGATGG AAGGAGATCCGGCGTTTCTCCCTCACAAACTTGCGGAATTTTGGGATGGGGAAGAGGAGC ATTGAGGACCGTGTTCAAGAGGAAGCTCACTGCCTTGTGGAGGAGTTGAGAAAAACCAAG GCTTCACCCTGTGATCCCACTTTCATCCTGGGCTGTGCTCCCTGCAATGTGATCTGCTCC GTTGTTTTCCAGAAACGATTTGATTATAAAGATCAGAATTTTCTCACCCTGATGAAAAGA TTCAATGAAAACTTCAGGATTCTGAACTCCCCATGGATCCAGGTCTGCAATAATTTCCCT CTACTCATTGATTGTTTCCCAGGAACTCACAACAAAGTGCTTAAAAATGTTGCTCTTACA CGAAGTTACATTAGGGAGAAAGTAAAAGAACACCAAGCATCACTGGATGTTAACAATCCT CGGGACTTTATGGATTGCTTCCTGATCAAAATGGAGCAGGAAAAGGACAACCAAAAGTCA GAATTCAATATTGAAAACTTGGTTGGCACTGTAGCTGATCTATTTGTTGCTGGAACAGAG ACAACAAGCACCACTCTGAGATATGGACTCCTGCTCCTGCTGAAGCACCCAGAGGTCACA GCTAAAGTCCAGGAAGAGATTGATCATGTAATTGGCAGACACAGGAGCCCCTGCATGCAG GATAGGAGCCACATGCCTTACACTGATGCTGTAGTGCACGAGATCCAGAGATACAGTGAC CTTGTCCCCACCGGTGTGCCCCATGCAGTGACCACTGATACTAAGTTCAGAAACTACCTC ATCCCCAAGGGCACAACCATAATGGCATTACTGACTTCCGTGCTACATGATGACAAAGAA TTTCCTAATCCAAATATCTTTGACCCTGGCCACTTTCTAGATAAGAATGGCAACTTTAAG AAAAGTGACTACTTCATGCCTTTCTCAGCAGGAAAACGAATTTGTGCAGGAGAAGGACTT GCCCGCATGGAGCTATTTTTATTTCTAACCACAATTTTACAGAACTTTAACCTGAAATCT GTTGATGATTTAAAGAACCTCAATACTACTGCAGTTACCAAAGGGATTGTTTCTCTGCCA CCCTCATACCAGATCTGCTTCATCCCTGTCTGA PF00067 p450 function transition metal ion binding function iron ion binding function binding function tetrapyrrole binding function catalytic activity function heme binding function monooxygenase activity function oxidoreductase activity function ion binding function cation binding process generation of precursor metabolites and energy process electron transport process physiological process process metabolism process cellular metabolism BE0001194 Fatty acid-binding protein, adipocyte Human # 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 Fatty acid-binding protein, adipocyte Involved in factty acid binding Lipid transport protein in adipocytes. Binds both long chain fatty acid and retinoic acid FABP4 8q21 Cytoplasm (Potential) None 7.25 14719.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:3559 GenAtlas FABP4 GeneCards FABP4 GenBank Gene Database J02874 GenBank Protein Database 178347 UniProtKB P15090 UniProt Accession FABP4_HUMAN A-FABP Adipocyte lipid-binding protein AFABP ALBP >Fatty acid-binding protein, adipocyte MCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKN TEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVM KGVTSTRVYERA >399 bp ATGTGTGATGCTTTTGTAGGTACCTGGAAACTTGTCTCCAGTGAAAACTTTGATGATTAT ATGAAAGAAGTAGGAGTGGGCTTTGCCACCAGGAAAGTGGCTGGCATGGCCAAACCTAAC ATGATCATCAGTGTGAATGGGGATGTGATCACCATTAAATCTGAAAGTACCTTTAAAAAT ACTGAGATTTCCTTCATACTGGGCCAGGAATTTGACGAAGTCACTGCAGATGACAGGAAA GTCAAGAGCACCATAACCTTAGATGGGGGTGTCCTGGTACATGTGCAGAAATGGGATGGA AAATCAACCACCATAAAGAGAAAACGAGAGGATGATAAACTGGTGGTGGAATGCGTCATG AAAGGCGTCACTTCCACGAGAGTTTATGAGAGAGCATAA PF00061 Lipocalin function binding function lipid binding process physiological process process cellular physiological process process transport "

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

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