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PredicateValue (sorted: default)
rdfs:label
"(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE"
rdf:type
ns1:description
" experimental This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms. Pyridines and Derivatives Organic Compounds Heterocyclic Compounds Pyridines and Derivatives Furans Polyamines Monoalkylamines furan polyamine primary amine amine primary aliphatic amine organonitrogen compound logP 1.04 ALOGPS logS -2 ALOGPS Water Solubility 1.76e+00 g/l ALOGPS logP 0.51 ChemAxon IUPAC Name [5-(pyridin-3-yl)furan-2-yl]methanamine ChemAxon Traditional IUPAC Name [5-(pyridin-3-yl)furan-2-yl]methanamine ChemAxon Molecular Weight 174.1992 ChemAxon Monoisotopic Weight 174.079312952 ChemAxon SMILES NCC1=CC=C(O1)C1=CC=CN=C1 ChemAxon Molecular Formula C10H10N2O ChemAxon InChI InChI=1S/C10H10N2O/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2 ChemAxon InChIKey InChIKey=LENAVORGWBTPJR-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 52.05 ChemAxon Refractivity 49.78 ChemAxon Polarizability 18.83 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 2 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest basic) 8.06 ChemAxon Physiological Charge 1 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon ChEBI 41804 PubChem Compound 11332763 PubChem Substance 99444092 ChemSpider 9507709 PDB D3G BE0003336 Cytochrome P450 2A6 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 Cytochrome P450 2A6 Involved in monooxygenase activity Exhibits a high coumarin 7-hydroxylase activity. Can act in the hydroxylation of the anti-cancer drugs cyclophosphamide and ifosphamide. Competent in the metabolic activation of aflatoxin B1. Constitutes the major nicotine C-oxidase CYP2A6 19q13.2 Endoplasmic reticulum None 9.69 56542.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:2610 GenAtlas CYP2A6 GenBank Gene Database X13897 UniProtKB P11509 UniProt Accession CP2A6_HUMAN Coumarin 7-hydroxylase CYP2A3 CYPIIA6 EC 1.14.14.1 P450 IIA3 P450(I) >Cytochrome P450 2A6 MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMK ISERYGPVFTIHLGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSN GERAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDAHRGTGGANIDPTFFLSRTVSN VISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEMFSSVMKHLPGPQQQAFQL LQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQEEEKNPNTEFYLKNLVMTTLNLFI GGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQ RFGDVIPMSLARRVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEK GQFKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDIDVSPKHVGF ATIPRNYTMSFLPR >1470 bp ATGCTTCTGGTGGCCTTGCTGGTCTGCCTGACTGTAATGGTCTTGATGTCTGTTTGGCAG CAGAGGAAGAACAAGGGGAAGCTGCCTCCGGGACCCACCCCATTGCCCTTCATTGGAAAC TACCTGCAGCTGAACACAGAGCAGATGTACAACTCCCTCATGAAGATCAGTGAGCGCTAT GGCCCCGTGTTCACCATTCACTTGGGGCCCCGGCGGGTCGTGGTGCTGTGTGGACATGAT GCCGTCAGGGAGGCTCTGGTGGACCAGGCTGAGGAGTTCAGCGGGCGAGGCGAGCAAGCC ACCTTCGACTGGGTCTTCAAAGGCTATGGCGTGGTATTCAGCAACGGGGAGCGCGCCAAG CAGCTCCGGCGCTTCTCCATCGCCACCCTGCGGGACTTCGGGGTGGGCAAGCGAGGCATC GAGGAGCGCATCCAGGAGGAGGCGGGCTTCCTCATCGACGCCCTCCGGGGCACTGGCGGC GCCAATATCGATCCCACCTTCTTCCTGAGCCGCACAGTCTCCAATGTCATCAGCTCCATT GTCTTTGGGGACCGCTTTGACTATAAGGACAAAGAGTTCCTGTCACTGTTGCGCATGATG CTAGGAATCTTCCAGTTCACGTCAACCTCCACGGGGCAGCTCTATGAGATGTTCTCTTCG GTGATGAAACACCTGCCAGGACCACAGCAACAGGCCTTTCAGTTGCTGCAAGGGCTGGAG GACTTCATAGCCAAGAAGGTGGAGCACAAACAGCGCACGCTGGATCCCAATTCCCCACGG GACTTCATTGACTCCTTTCTCATCCGCATGCAGGAGGAGGAGAAGAACCCCAACACGGAG TTCTACTTGAAAAACCTGGTGATGACCACGTTGAACCTCTTCATTGGGGGCACCGAGACC GTCAGCACCACCCTGCGCTATGGCTTCTTGCTGCTCATGAAGCACCCAGAGGTGGAGGCC CAGGTCCATGAGGAGATTGACAGAGTGATCGGCAAGAACCGGCAGCCCAAGTTTGAGGAC CGGGCCAAGATGCCCTACATGGAGGCAGTGATCCACGAGATCCAAAGATTTGGAGACGTG ATCCCCATGAGTTTGGCCCGCAGAGTCAAAAAGGACACCAAGTTTCGGGATTTCTTCCTC CCTAAGGGCACCGAAGTGTACCCTATGCTGGGCTCTGTGCTGAGAGACCCCAGTTTCTTC TCCAACCCCCAGGACTTCAATCCCCAGCACTTCCTGAATGAGAAGGGGCAGTTTAAGAAG AGTGATGCTTTTGTGCCCTTTTCCATCGGAAAGCGGAACTGTTTCGGAGAAGGCCTGGCC AGAATGGAGCTCTTTCTCTTCTTCACCACCGTCATGCAGAACTTCCGCCTCAAGTCCTCC CAGTCACCTAAGGACATTGACGTGTCCCCCAAACACGTGGGCTTTGCCACGATCCCACGA AACTACACCATGAGCTTCCTGCCCCGCTGA PF00067 p450 function catalytic activity function heme binding function monooxygenase activity function oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen function oxidoreductase activity function ion binding function cation binding function transition metal ion binding function iron ion binding function binding function tetrapyrrole binding process metabolism process cellular metabolism process generation of precursor metabolites and energy process electron transport process physiological process "

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