Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08011"

Predicate	Value (sorted: default)
rdfs:label	"(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the benzo-1,3-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,3-dioxane ring. Benzo-1,3-dioxanes Organic Compounds Heterocyclic Compounds Benzodioxanes Benzo-1,3-dioxanes Benzo-m-dioxins Indoles and Derivatives Fluorobenzenes Alkyl Aryl Ethers Aryl Fluorides Tertiary Carboxylic Acid Amides Oximes Tertiary Amines Acetals Carboxylic Acids Polyamines Dialkyl Ethers Organofluorides alkyl aryl ether fluorobenzene aryl fluoride benzene aryl halide tertiary carboxylic acid amide carboxamide group tertiary amine oxime acetal polyamine ether dialkyl ether carboxylic acid carboxylic acid derivative organohalogen organofluoride amine organonitrogen compound logP 1.62 ALOGPS logS -3.9 ALOGPS Water Solubility 4.46e-02 g/l ALOGPS logP 2.49 ChemAxon IUPAC Name (3E)-5-fluoro-1-[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]-3-(hydroxyimino)-2,3-dihydro-1H-indol-2-one ChemAxon Traditional IUPAC Name (3E)-5-fluoro-1-[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]-3-(hydroxyimino)indol-2-one ChemAxon Molecular Weight 346.285 ChemAxon Monoisotopic Weight 346.076513292 ChemAxon SMILES O\N=C1\C(=O)N(CC2=C3OCOCC3=CC(F)=C2)C2=CC=C(F)C=C12 ChemAxon Molecular Formula C17H12F2N2O4 ChemAxon InChI InChI=1S/C17H12F2N2O4/c18-11-1-2-14-13(5-11)15(20-23)17(22)21(14)6-9-3-12(19)4-10-7-24-8-25-16(9)10/h1-5,23H,6-8H2/b20-15+ ChemAxon InChIKey InChIKey=DXIHOIDYHQSQKJ-HMMYKYKNSA-N ChemAxon Polar Surface Area (PSA) 71.36 ChemAxon Refractivity 83.33 ChemAxon Polarizability 31.01 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 5.64 ChemAxon pKa (strongest basic) -3.8 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 46937116 PubChem Substance 99444482 PDB J72 BE0001097 Mitogen-activated protein kinase 10 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 Mitogen-activated protein kinase 10 Involved in MAP kinase activity Responds to activation by environmental stress and pro- inflammatory cytokines by phosphorylating a number of transcription factors, primarily components of AP-1 such as c-Jun and ATF2 and thus regulates AP-1 transcriptional activity. Required for stress-induced neuronal apoptosis and the pathogenesis of glutamate excitotoxicity MAPK10 4q22.1-q23 Cytoplasm None 6.78 52586.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:6872 GenAtlas MAPK10 GeneCards MAPK10 GenBank Gene Database U07620 GenBank Protein Database 468151 UniProtKB P53779 UniProt Accession MK10_HUMAN c-Jun N-terminal kinase 3 EC 2.7.11.24 MAP kinase p49 3F12 Stress-activated protein kinase JNK3 >Mitogen-activated protein kinase 10 MSLHFLYYCSEPTLDVKIAFCQGFDKQVDVSYIAKHYNMSKSKVDNQFYSVEVGDSTFTV LKRYQNLKPIGSGAQGIVCAAYDAVLDRNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNH KNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHL HSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGY KENVDIWSVGCIMGEMVRHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRNYVEN RPKYAGLTFPKLFPDSLFPADSEHNKLKASQARDLLSKMLVIDPAKRISVDDALQHPYIN VWYDPAEVEAPPPQIYDKQLDEREHTIEEWKELIYKEVMNSEEKTKNGVVKGQPSPSGAA VNSSESLPPSSSVNDISSMSTDQTLASDTDSSLEASAGPLGCCR >1395 bp ATGAGCCTCCATTTCTTATACTACTGCAGTGAACCAACATTGGATGTGAAAATTGCCTTT TGTCAGGGATTCGATAAACAAGTGGATGTGTCATATATTGCCAAACATTACAACATGAGC AAAAGCAAAGTTGACAACCAGTTCTACAGTGTGGAAGTGGGAGACTCAACCTTCACAGTT CTCAAGCGCTACCAGAATCTAAAGCCTATTGGCTCTGGGGCTCAGGGCATAGTTTGTGCC GCGTATGATGCTGTCCTTGACAGAAATGTGGCCATTAAGAAGCTCAGCAGACCCTTTCAG AACCAAACACATGCCAAGAGAGCGTACCGGGAGCTGGTCCTCATGAAGTGTGTGAACCAT AAAAACATTATTAGTTTATTAAATGTCTTCACACCCCAGAAAACGCTGGAGGAGTTCCAA GATGTTTACTTAGTAATGGAACTGATGGATGCCAACTTATGTCAAGTGATTCAGATGGAA TTAGACCATGAGCGAATGTCTTACCTGCTGTACCAAATGTTGTGTGGCATTAAGCACCTC CATTCTGCTGGAATTATTCACAGGGATTTAAAACCAAGTAACATTGTAGTCAAGTCTGAT TGCACATTGAAAATCCTGGACTTTGGACTGGCCAGGACAGCAGGCACAAGCTTCATGATG ACTCCATATGTGGTGACACGTTATTACAGAGCCCCTGAGGTCATCCTGGGGATGGGCTAC AAGGAGAACGTGGATATATGGTCTGTGGGATGCATTATGGGAGAAATGGTTCGCCACAAA ATCCTCTTTCCAGGAAGGGACTATATTGACCAGTGGAATAAGGTAATTGAACAACTAGGA ACACCATGTCCAGAATTCATGAAGAAATTGCAACCCACAGTAAGAAACTATGTGGAGAAT CGGCCCAAGTATGCGGGACTCACCTTCCCCAAACTCTTCCCAGATTCCCTCTTCCCAGCG GACTCCGAGCACAATAAACTCAAAGCCAGCCAAGCCAGGGACTTGTTGTCAAAGATGCTA GTGATTGACCCAGCAAAAAGAATATCAGTGGACGACGCCTTACAGCATCCCTACATCAAC GTCTGGTATGACCCAGCCGAAGTGGAGGCGCCTCCACCTCAGATATATGACAAGCAGTTG GATGAAAGAGAACACACAATTGAAGAATGGAAAGAACTTATCTACAAGGAAGTAATGAAT TCAGAAGAAAAGACTAAAAATGGTGTAGTAAAAGGACAGCCTTCTCCTTCAGGTGCAGCA GTGAACAGCAGTGAGAGTCTCCCTCCATCCTCGTCTGTCAATGACATCTCCTCCATGTCC ACCGACCAGACCCTGGCATCTGACACTGACAGCAGCCTGGAAGCCTCGGCAGGACCCCTG GGTTGTTGCAGGTGA PF00069 Pkinase function protein serine/threonine kinase activity function receptor signaling protein serine/threonine kinase activity function nucleotide binding function MAP kinase activity function purine nucleotide binding function adenyl nucleotide binding function binding function transferase activity function ATP binding function catalytic activity function transferase activity, transferring phosphorus-containing groups function kinase activity function protein kinase activity process biopolymer metabolism process protein amino acid phosphorylation process biopolymer modification process protein modification process physiological process process metabolism process macromolecule metabolism "

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