Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06992"

Predicate	Value (sorted: default)
rdfs:label	"(3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. Phenylpyridines Organic Compounds Heterocyclic Compounds Pyridines and Derivatives Phenylpyridines Piperidinecarboxylic Acids N-Acylpiperidines Pyridinecarboxylic Acids and Derivatives Toluenes Fluorobenzenes Aryl Fluorides Tertiary Carboxylic Acid Amides Tertiary Amines Polyamines Carboxylic Acids Enolates Organofluorides piperidinecarboxylic acid n-acyl-piperidine pyridine carboxylic acid or derivative fluorobenzene toluene aryl fluoride benzene piperidine aryl halide tertiary carboxylic acid amide tertiary amine carboxamide group polyamine carboxylic acid enolate carboxylic acid derivative organohalogen amine organofluoride organonitrogen compound logP 4.05 ALOGPS logS -4.2 ALOGPS Water Solubility 2.00e-02 g/l ALOGPS logP 4.72 ChemAxon IUPAC Name 2-[(3,3-dimethylpiperidin-1-yl)carbonyl]-6-(3-fluoro-4-methylphenyl)pyridine ChemAxon Traditional IUPAC Name 2-[(3,3-dimethylpiperidin-1-yl)carbonyl]-6-(3-fluoro-4-methylphenyl)pyridine ChemAxon Molecular Weight 326.4078 ChemAxon Monoisotopic Weight 326.179441573 ChemAxon SMILES CC1=CC=C(C=C1F)C1=NC(=CC=C1)C(=O)N1CCCC(C)(C)C1 ChemAxon Molecular Formula C20H23FN2O ChemAxon InChI InChI=1S/C20H23FN2O/c1-14-8-9-15(12-16(14)21)17-6-4-7-18(22-17)19(24)23-11-5-10-20(2,3)13-23/h4,6-9,12H,5,10-11,13H2,1-3H3 ChemAxon InChIKey InChIKey=SIDDLTBLAQYZIZ-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 33.2 ChemAxon Refractivity 93.43 ChemAxon Polarizability 36.19 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 2 ChemAxon H Bond Donor Count 0 ChemAxon pKa (strongest basic) 0.4 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 24808495 PubChem Substance 99443463 ChemSpider 22376229 PDB 311 BE0000329 Corticosteroid 11-beta-dehydrogenase isozyme 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 Corticosteroid 11-beta-dehydrogenase isozyme 1 Lipid transport and metabolism Catalyzes reversibly the conversion of cortisol to the inactive metabolite cortisone. Catalyzes reversibly the conversion of 7-ketocholesterol to 7-beta-hydroxycholesterol. In intact cells, the reaction runs only in one direction, from 7- ketocholesterol to 7-beta-hydroxycholesterol HSD11B1 1q32-q41 Endoplasmic reticulum; endoplasmic reticulum membrane; single-pass type II membrane protein 7-23 8.77 32270.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:5208 GenAtlas HSD11B1 GeneCards HSD11B1 GenBank Gene Database M76665 GenBank Protein Database 179475 UniProtKB P28845 UniProt Accession DHI1_HUMAN 11-beta-HSD1 11-beta-hydroxysteroid dehydrogenase 1 11-DH EC 1.1.1.146 >Corticosteroid 11-beta-dehydrogenase isozyme 1 AFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHV VVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNHI TNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKVAYPMVA AYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMKAVSGIVHMQAAPKEEC ALEIIKGGALRQEEVYYDSSLWTTLLIRNPCRKILEFLYSTSYNMDRFINK >879 bp ATGGCTTTTATGAAAAAATATCTCCTCCCCATTCTGGGGCTCTTCATGGCCTACTACTAC TATTCTGCAAACGAGGAATTCAGACCAGAGATGCTCCAAGGAAAGAAAGTGATTGTCACA GGGGCCAGCAAAGGGATCGGAAGAGAGATGGCTTATCATCTGGCGAAGATGGGAGCCCAT GTGGTGGTGACAGCGAGGTCAAAAGAAACTCTACAGAAGGTGGTATCCCACTGCCTGGAG CTTGGAGCAGCCTCAGCACACTACATTGCTGGCACCATGGAAGACATGACCTTCGCAGAG CAATTTGTTGCCCAAGCAGGAAAGCTCATGGGAGGACTAGACATGCTCATTCTCAACCAC ATCACCAACACTTCTTTGAATCTTTTTCATGATGATATTCACCATGTGCGCAAAAGCATG GAAGTCAACTTCCTCAGTTACGTGGTCCTGACTGTAGCTGCCTTGCCCATGCTGAAGCAG AGCAATGGAAGCATTGTTGTCGTCTCCTCTCTGGCTGGGAAAGTGGCTTATCCAATGGTT GCTGCCTATTCTGCAAGCAAGTTTGCTTTGGATGGGTTCTTCTCCTCCATCAGAAAGGAA TATTCAGTGTCCAGGGTCAATGTATCAATCACTCTCTGTGTTCTTGGCCTCATAGACACA GAAACAGCCATGAAGGCAGTTTCTGGGATAGTCCATATGCAAGCAGCTCCAAAGGAGGAA TGTGCCCTGGAGATCATCAAAGGGGGAGCTCTGCGCCAAGAAGAAGTGTATTATGACAGC TCACTCTGGACCACTCTTCTGATCAGAAATCCATGCAGGAAGATCCTGGAATTTCTCTAC TCAACGAGCTATAATATGGACAGATTCATAAACAAGTAG PF00106 adh_short function catalytic activity function oxidoreductase activity process physiological process process metabolism "

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

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