Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08424"

Predicate	Value (sorted: none)
rdf:type	drugbank:drugs
rdfs:label	"[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE"
drugbank:description	" experimental This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. Phenylpyrazoles Organic Compounds Heterocyclic Compounds Azoles Pyrazoles Acetophenones Benzoyl Derivatives Phenol Ethers Alkyl Aryl Ethers Fluorobenzenes Primary Aromatic Amines Aryl Fluorides Ketones 1,2-Diols Secondary Alcohols Polyamines Primary Alcohols Enolates Organofluorides acetophenone phenol ether benzoyl fluorobenzene alkyl aryl ether aryl halide primary aromatic amine aryl fluoride benzene secondary alcohol 1,2-diol ketone polyamine enolate ether primary alcohol carbonyl group organofluoride amine primary amine organohalogen alcohol organonitrogen compound logP 1.58 ALOGPS logS -3.6 ALOGPS Water Solubility 9.90e-02 g/l ALOGPS logP 2.09 ChemAxon IUPAC Name (2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}phenoxy)propane-1,2-diol ChemAxon Traditional IUPAC Name (2S)-3-(3-{[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]carbonyl}phenoxy)propane-1,2-diol ChemAxon Molecular Weight 371.3623 ChemAxon Monoisotopic Weight 371.128134284 ChemAxon SMILES [H][C@](O)(CO)COC1=CC(=CC=C1)C(=O)C1=C(N)N(N=C1)C1=CC=C(F)C=C1 ChemAxon Molecular Formula C19H18FN3O4 ChemAxon InChI InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1 ChemAxon InChIKey InChIKey=IJDQETGUEUJVTB-HNNXBMFYSA-N ChemAxon Polar Surface Area (PSA) 110.6 ChemAxon Refractivity 97.88 ChemAxon Polarizability 37.61 ChemAxon Rotatable Bond Count 7 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 13.62 ChemAxon pKa (strongest basic) 2.18 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon MDDR-Like Rule true ChemAxon ChEBI 45116 PubChem Compound 5327067 PubChem Substance 99444895 ChemSpider 4484325 PDB PQB BE0001019 Mitogen-activated protein kinase 14 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 14 Involved in MAP kinase activity Responds to activation by environmental stress, pro- inflammatory cytokines and lipopolysaccharide (LPS) by phosphorylating a number of transcription factors, such as ELK1 and ATF2 and several downstream kinases, such as MAPKAPK2 and MAPKAPK5. Plays a critical role in the production of some cytokines, for example IL-6. May play a role in stabilization of EPO mRNA during hypoxic stress. Isoform Mxi2 activation is stimulated by mitogens and oxidative stress and only poorly phosphorylates ELK1 and ATF2. Isoform Exip may play a role in the early onset of apoptosis MAPK14 6p21.3-p21.2 Cytoplasm. Nucleus (By similarity) None 5.58 41294.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:6876 GenAtlas MAPK14 GeneCards MAPK14 GenBank Gene Database L35263 GenBank Protein Database 603917 UniProtKB Q16539 UniProt Accession MK14_HUMAN CSAID-binding protein CSBP Cytokine suppressive anti-inflammatory drug-binding protein EC 2.7.11.24 MAP kinase MXI2 MAP kinase p38 alpha MAX-interacting protein 2 Mitogen-activated protein kinase p38 alpha SAPK2A >Mitogen-activated protein kinase 14 MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQ SIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQ KLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMT GYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVG TPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAA QALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES >1083 bp ATGTCTCAGGAGAGGCCCACGTTCTACCGGCAGGAGCTGAACAAGACAATCTGGGAGGTG CCCGAGCGTTACCAGAACCTGTCTCCAGTGGGCTCTGGCGCCTATGGCTCTGTGTGTGCT GCTTTTGACACAAAAACGGGGTTACGTGTGGCAGTGAAGAAGCTCTCCAGACCATTTCAG TCCATCATTCATGCGAAAAGAACCTACAGAGAACTGCGGTTACTTAAACATATGAAACAT GAAAATGTGATTGGTCTGTTGGACGTTTTTACACCTGCAAGGTCTCTGGAGGAATTCAAT GATGTGTATCTGGTGACCCATCTCATGGGGGCAGATCTGAACAACATTGTGAAATGTCAG AAGCTTACAGATGACCATGTTCAGTTCCTTATCTACCAAATTCTCCGAGGTCTAAAGTAT ATACATTCAGCTGACATAATTCACAGGGACCTAAAACCTAGTAATCTAGCTGTGAATGAA GACTGTGAGCTGAAGATTCTGGATTTTGGACTGGCTCGGCACACAGATGATGAAATGACA GGCTACGTGGCCACTAGGTGGTACAGGGCTCCTGAGATCATGCTGAACTGGATGCATTAC AACCAGACAGTTGATATTTGGTCAGTGGGATGCATAATGGCCGAGCTGTTGACTGGAAGA ACATTGTTTCCTGGTACAGACCATATTAACCAGCTTCAGCAGATTATGCGTCTGACAGGA ACACCCCCCGCTTATCTCATTAACAGGATGCCAAGCCATGAGGCAAGAAACTATATTCAG TCTTTGACTCAGATGCCGAAGATGAACTTTGCGAATGTATTTATTGGTGCCAATCCCCTG GCTGTCGACTTGCTGGAGAAGATGCTTGTATTGGACTCAGATAAGAGAATTACAGCGGCC CAAGCCCTTGCACATGCCTACTTTGCTCAGTACCACGATCCTGATGATGAACCAGTGGCC GATCCTTATGATCAGTCCTTTGAAAGCAGGGACCTCCTTATAGATGAGTGGAAAAGCCTG ACCTATGATGAAGTCATCAGCTTTGTGCCACCACCCCTTGACCAAGAAGAGATGGAGTCC TGA PF00069 Pkinase 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 function protein serine/threonine kinase activity process protein modification process physiological process process metabolism process macromolecule metabolism process biopolymer metabolism process protein amino acid phosphorylation process biopolymer modification "

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

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