Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02287"

Predicate	Value (sorted: none)
owl:sameAs	?:EXPT00016
ns1:description	" experimental This compound belongs to the phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety whose imidazole ring attacthed to a phenyl group. Phenylbenzimidazoles Organic Compounds Heterocyclic Compounds Benzimidazoles Phenylbenzimidazoles Phenylimidazoles Phenols and Derivatives Polyamines Enols Carboxamidines 2-phenylimidazole phenol derivative benzene imidazole azole enol carboxylic acid amidine amidine polyamine amine organonitrogen compound logP 0.65 ALOGPS logS -3.5 ALOGPS Water Solubility 8.14e-02 g/l ALOGPS logP 1.45 ChemAxon IUPAC Name {amino[2-(2-hydroxyphenyl)-1H-1,3-benzodiazol-6-yl]methylidene}azanium ChemAxon Traditional IUPAC Name {amino[2-(2-hydroxyphenyl)-3H-1,3-benzodiazol-5-yl]methylidene}azanium ChemAxon Molecular Weight 253.2792 ChemAxon Monoisotopic Weight 253.108936058 ChemAxon SMILES NC(=[NH2+])C1=CC2=C(C=C1)N=C(N2)C1=CC=CC=C1O ChemAxon Molecular Formula C14H13N4O ChemAxon InChI InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1 ChemAxon InChIKey InChIKey=URJKRCBBKTXOHS-UHFFFAOYSA-O ChemAxon Polar Surface Area (PSA) 100.52 ChemAxon Refractivity 94.52 ChemAxon Polarizability 27.56 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 9.09 ChemAxon pKa (strongest basic) 11.55 ChemAxon Physiological Charge 1 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 5353306 PubChem Substance 46505811 ChemSpider 16743765 PDB 122 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 "
rdf:type	ns1:drugs
rdfs:label	"2-(2-Hydroxy-Phenyl)-3h-Benzoimidazole-5-Carboxamidine"

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

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