Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04764"

PredicateValue (sorted: default)
rdfs:label
"[4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE"
rdf:type
drugbank:description
" experimental This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. Phenylpiperidines Organic Compounds Heterocyclic Compounds Piperidines Phenylpiperidines Piperidinecarboxylic Acids N-Acylpiperidines Pyridinecarboxylic Acids and Derivatives Benzene and Substituted Derivatives Tertiary Carboxylic Acid Amides Tertiary Amines Polyamines Enolates Carboxylic Acids Monoalkylamines piperidinecarboxylic acid n-acyl-piperidine pyridine carboxylic acid or derivative pyridine benzene tertiary carboxylic acid amide tertiary amine carboxamide group carboxylic acid derivative carboxylic acid enolate polyamine primary aliphatic amine primary amine amine organonitrogen compound logP 4.12 ALOGPS logS -5.7 ALOGPS Water Solubility 8.03e-04 g/l ALOGPS logP 3.99 ChemAxon IUPAC Name [3-(1-{[5-(2-phenylethyl)pyridin-3-yl]carbonyl}piperidin-4-yl)phenyl]methanamine ChemAxon Traditional IUPAC Name [3-(1-{[5-(2-phenylethyl)pyridin-3-yl]carbonyl}piperidin-4-yl)phenyl]methanamine ChemAxon Molecular Weight 399.528 ChemAxon Monoisotopic Weight 399.231062565 ChemAxon SMILES NCC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC(CCC2=CC=CC=C2)=CN=C1 ChemAxon Molecular Formula C26H29N3O ChemAxon InChI InChI=1S/C26H29N3O/c27-17-21-7-4-8-24(15-21)23-11-13-29(14-12-23)26(30)25-16-22(18-28-19-25)10-9-20-5-2-1-3-6-20/h1-8,15-16,18-19,23H,9-14,17,27H2 ChemAxon InChIKey InChIKey=CCLHROFBSWWOQO-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 59.22 ChemAxon Refractivity 122.37 ChemAxon Polarizability 46.42 ChemAxon Rotatable Bond Count 6 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest basic) 9.48 ChemAxon Physiological Charge 1 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon MDDR-Like Rule true ChemAxon PubChem Compound 657077 PubChem Substance 46506605 ChemSpider 571285 PDB PM2 BE0001474 Tryptase beta-2 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 Tryptase beta-2 Involved in protease activity Tryptase is the major neutral protease present in mast cells and is secreted upon the coupled activation-degranulation response of this cell type TPSB2 16p13.3 Secreted protein. Note=Released from the secretory granules upon mast cell activation None 7.12 30515.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:14120 GenAtlas TPSB2 GeneCards TPSB2 GenBank Gene Database M37488 GenBank Protein Database 179584 UniProtKB P20231 UniProt Accession TRYB2_HUMAN EC 3.4.21.59 Tryptase beta-2 precursor Tryptase II Tryptase-2 >Tryptase beta-2 precursor MLNLLLLALPVLASRAYAAPAPGQALQRVGIVGGQEAPRSKWPWQVSLRVHGPYWMHFCG GSLIHPQWVLTAAHCVGPDVKDLAALRVQLREQHLYYQDQLLPVSRIIVHPQFYTAQIGA DIALLELEEPVNVSSHVHTVTLPPASETFPPGMPCWVTGWGDVDNDERLPPPFPLKQVKV PIMENHICDAKYHLGAYTGDDVRIVRDDMLCAGNTRRDSCQGDSGGPLVCKVNGTWLQAG VVSWGEGCAQPNRPGIYTRVTYYLDWIHHYVPKKP >828 bp ATGCTGAATCTGCTGCTGCTGGCGCTGCCCGTCCTGGCGAGCCGCGCCTACGCGGCCCCT GCCCCAGGCCAGGCCCTGCAGCGAGTGGGCATCGTTGGGGGTCAGGAGGCCCCCAGGAGC AAGTGGCCCTGGCAGGTGAGCCTGAGAGTCCACGGCCCATACTGGATGCACTTCTGCGGG GGCTCCCTCATCCACCCCCAGTGGGTGCTGACCGCAGCGCACTGCGTGGGACCGGACGTC AAGGATCTGGCCGCCCTCAGGGTGCAACTGCGGGAGCAGCACCTCTACTACCAGGACCAG CTGCTGCCGGTCAGCAGGATCATCGTGCACCCACAGTTCTACACCGCCCAGATCGGAGCG GACATCGCCCTGCTGGAGCTGGAGGAGCCGGTGAAGGTCTCCAGCCACGTCCACACGGTC ACCCTGCCCCCTGCCTCAGAGACCTTCCCCCCGGGGATGCCGTGCTGGGTCACTGGCTGG GGCGATGTGGACAATGATGAGCGCCTCCCACCGCCATTTCCTCTGAAGCAGGTGAAGGTC CCCATAATGGAAAACCACATTTGTGACGCAAAATACCACCTTGGCGCCTACACGGGAGAC GACGTCCGCATCGTCCGTGACGACATGCTGTGTGCCGGGAACACCCGGAGGGACTCATGC CAGGGCGACTCCGGAGGGCCCCTGGTGTGCAAGGTGAATGGCACCTGGCTGCAGGCGGGC GTGGTCAGCTGGGGCGAGGGCTGTGCCCAGCCCAACCGGCCTGGCATCTACACCCGTGTC ACCTACTACTTGGACTGGATCCACCACTATGTCCCCAAAAAGCCGTGA PF00089 Trypsin function endopeptidase activity function serine-type endopeptidase activity function catalytic activity function hydrolase activity function peptidase activity process proteolysis process physiological process process metabolism process macromolecule metabolism process protein metabolism process cellular protein metabolism "

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