Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02463"

Predicate	Value (sorted: default)
rdfs:label	"2-(2-Hydroxy-Phenyl)-1h-Indole-5-Carboxamidine"
rdf:type	ns1:drugs
ns1:description	" experimental This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Stilbenes Organic Compounds Phenylpropanoids and Polyketides Stilbenes Phenylpyrroles Indoles Phenols and Derivatives Polyamines Enols Carboxamidines 2-phenylpyrrole indole or derivative indole phenol derivative benzene substituted pyrrole pyrrole amidine polyamine carboxylic acid amidine enol amine organonitrogen compound logP 0.79 ALOGPS logS -4.1 ALOGPS Water Solubility 2.25e-02 g/l ALOGPS logP 1.77 ChemAxon IUPAC Name {amino[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene}azanium ChemAxon Traditional IUPAC Name {amino[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene}azanium ChemAxon Molecular Weight 252.2912 ChemAxon Monoisotopic Weight 252.113687085 ChemAxon SMILES NC(=[NH2+])C1=CC2=C(NC(=C2)C2=CC=CC=C2O)C=C1 ChemAxon Molecular Formula C15H14N3O ChemAxon InChI InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)/p+1 ChemAxon InChIKey InChIKey=JPGNPKIYCTXJPG-UHFFFAOYSA-O ChemAxon Polar Surface Area (PSA) 87.63 ChemAxon Refractivity 86.61 ChemAxon Polarizability 28.04 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 2 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 9.64 ChemAxon pKa (strongest basic) 11.23 ChemAxon Physiological Charge 1 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 1507 PubChem Substance 46504567 ChemSpider 1457 BindingDB 13942 PDB 124 BE0001739 Trypsin-1 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 Trypsin-1 Involved in protease activity Preferential cleavage:Arg-\|-Xaa, Lys-\|-Xaa PRSS1 7q32-qter\|7q34 Secreted protein; extracellular space None 6.48 26558.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:9475 GenAtlas PRSS1 GeneCards PRSS1 GenBank Gene Database M22612 GenBank Protein Database 521216 UniProtKB P07477 UniProt Accession TRY1_HUMAN Cationic trypsinogen EC 3.4.21.4 Serine protease 1 Trypsin I Trypsin-1 precursor >Trypsin-1 precursor MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGGSLINEQWVVS AGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPQYDRKTLNNDIMLIKLSSRAVIN ARVSTISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEASYPGKIT SNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGDGCAQKNKPGVYTKVYNYVKWIK NTIAANS >744 bp ATGAATCCACTCCTGATCCTTACCTTTGTGGCAGCTGCTCTTGCTGCCCCCTTTGATGAT GATGACAAGATCGTTGGGGGCTACAACTGTGAGGAGAATTCTGTCCCCTACCAGGTGTCC CTGAATTCTGGCTACCACTTCTGTGGTGGCTCCCTCATCAACGAACAGTGGGTGGTATCA GCAGGCCACTGCTACAAGTCCCGCATCCAGGTGAGACTGGGAGAGCACAACATCGAAGTC CTGGAGGGGAATGAGCAGTTCATCAATGCAGCCAAGATCATCCGCCACCCCCAATACGAC AGGAAGACTCTGAACAATGACATCATGTTAATCAAGCTCTCCTCACGTGCAGTAATCAAC GCCCGCGTGTCCACCATCTCTCTGCCCACCGCCCCTCCAGCCACTGGCACGAAGTGCCTC ATCTCTGGCTGGGGCAACACTGCGAGCTCTGGCGCCGACTACCCAGACGAGCTGCAGTGC CTGGATGCTCCTGTGCTGAGCCAGGCTAAGTGTGAAGCCTCCTACCCTGGAAAGATTACC AGCAACATGTTCTGTGTGGGCTTCCTTGAGGGAGGCAAGGATTCATGTCAGGGTGATTCT GGTGGCCCTGTGGTCTGCAATGGACAGCTCCAAGGAGTTGTCTCCTGGGGTGATGGCTGT GCCCAGAAGAACAAGCCTGGAGTCTACACCAAGGTCTACAACTACGTGAAATGGATTAAG AACACCATAGCTGCCAATAGCTAA PF00089 Trypsin function catalytic activity function hydrolase activity function peptidase activity function endopeptidase activity function serine-type endopeptidase activity process metabolism process macromolecule metabolism process protein metabolism process cellular protein metabolism process proteolysis process physiological process "
owl:sameAs	?:EXPT00018

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

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