Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07680"

Predicate	Value (sorted: none)
drugbank:description	" experimental This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Naphthalenes Organic Compounds Benzenoids Acenes and Derivatives Naphthalenes Anilides Benzothiophenes Chlorobenzenes Aryl Chlorides Thiophenes Organic Phosphonic Acids Secondary Carboxylic Acid Amides Carboxylic Acids Polyamines Enolates Organochlorides chlorobenzene aryl chloride aryl halide benzene phosphonic acid thiophene phosphonic acid derivative carboxamide group secondary carboxylic acid amide carboxylic acid derivative enolate carboxylic acid polyamine organochloride organohalogen amine organonitrogen compound logP 3.25 ALOGPS logS -4.8 ALOGPS Water Solubility 7.15e-03 g/l ALOGPS logP 4.21 ChemAxon IUPAC Name [(S)-(5-chloro-1-benzothiophen-3-yl)[(naphthalen-2-yl)carbamoyl]methyl]phosphonic acid ChemAxon Traditional IUPAC Name (S)-(5-chloro-1-benzothiophen-3-yl)[(naphthalen-2-yl)carbamoyl]methylphosphonic acid ChemAxon Molecular Weight 431.829 ChemAxon Monoisotopic Weight 431.014792882 ChemAxon SMILES [H][C@@](C(=O)NC1=CC=C2C=CC=CC2=C1)(C1=CSC2=C1C=C(Cl)C=C2)P(O)(O)=O ChemAxon Molecular Formula C20H15ClNO4PS ChemAxon InChI InChI=1S/C20H15ClNO4PS/c21-14-6-8-18-16(10-14)17(11-28-18)19(27(24,25)26)20(23)22-15-7-5-12-3-1-2-4-13(12)9-15/h1-11,19H,(H,22,23)(H2,24,25,26)/t19-/m0/s1 ChemAxon InChIKey InChIKey=HUJXISJLAPAFBO-IBGZPJMESA-N ChemAxon Polar Surface Area (PSA) 86.63 ChemAxon Refractivity 110.86 ChemAxon Polarizability 40.15 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 1.52 ChemAxon pKa (strongest basic) -8.4 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 16122567 PubChem Substance 99444151 ChemSpider 17279485 PDB DRX BE0001038 Chymase 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 Chymase Involved in protease activity Major secreted protease of mast cells with suspected roles in vasoactive peptide generation, extracellular matrix degradation, and regulation of gland secretion CMA1 14q11.2 Secreted protein. Cytoplasmic granule. Note=Mast cell granules None 9.71 27325.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:2097 GenAtlas CMA1 GeneCards CMA1 GenBank Gene Database M64269 GenBank Protein Database 180542 UniProtKB P23946 UniProt Accession CMA1_HUMAN Chymase precursor EC 3.4.21.39 Mast cell protease I >Chymase precursor MLLLPLPLLLFLLCSRAEAGEIIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNF VLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPKYNTSTLHHDIMLLKLKEKA SLTLAVGTLPFPSQFNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRD FDHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWI NQILQAN >744 bp ATGCTGCTTCTTCCTCTCCCCCTGCTGCTCTTTCTCTTGTGCTCCAGAGCTGAAGCTGGG GAGATCATCGGGGGCACAGAATGCAAGCCACATTCCCGCCCCTACATGGCCTACCTGGAA ATTGTAACTTCCAACGGTCCCTCAAAATTTTGTGGTGGTTTCCTTATAAGACGGAACTTT GTGCTGACGGCTGCTCATTGTGCAGGAAGGTCTATAACAGTCACCCTTGGAGCCCATAAC ATAACAGAGGAAGAAGACACATGGCAGAAGCTTGAGGTTATAAAGCAATTCCGTCATCCA AAATATAACACTTCTACTCTTCACCACGATATCATGTTACTAAAGTTGAAGGAGAAAGCC AGCCTGACCCTGGCTGTGGGGACACTCCCCTTCCCATCACAATTCAACTTTGTCCCACCT GGGAGAATGTGCCGGGTGGCTGGCTGGGGAAGAACAGGTGTGTTGAAGCCGGGCTCAGAC ACTCTGCAAGAGGTGAAGCTGAGACTCATGGATCCCCAGGCCTGCAGCCACTTCAGAGAC TTTGACCACAATCTTCAGCTGTGTGTGGGCAATCCCAGGAAGACAAAATCTGCATTTAAG GGAGACTCTGGGGGCCCTCTTCTGTGTGCTGGGGTGGCCCAGGGCATCGTATCCTATGGA CGGTCGGATGCAAAGCCCCCTGCTGTCTTCACCCGAATCTCCCATTACCGGCCCTGGATC AACCAGATCCTGCAGGCAAATTAA 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	drugbank:drugs
rdfs:label	"[(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID"

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

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