Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02016"

PredicateValue (sorted: none)
rdf:type
drugbank:drugs
owl:sameAs
drug:EXPT02749
rdfs:label
"R048-8071"
drugbank:description
" 161582-11-2 experimental This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. Benzophenones Organic Compounds Benzenoids Benzene and Substituted Derivatives Benzophenones Diphenylmethanes Acetophenones Phenol Ethers Benzoyl Derivatives Alkyl Aryl Ethers Bromobenzenes Fluorobenzenes Aryl Bromides Aryl Fluorides Tertiary Amines Ketones Polyamines Enolates Organobromides Organofluorides acetophenone phenol ether benzoyl bromobenzene alkyl aryl ether fluorobenzene aryl halide aryl fluoride aryl bromide ketone tertiary amine ether enolate polyamine organofluoride organobromide amine carbonyl group organohalogen organonitrogen compound logP 5.57 ALOGPS logS -6.5 ALOGPS Water Solubility 1.55e-04 g/l ALOGPS logP 6.4 ChemAxon IUPAC Name (6-{4-[(4-bromophenyl)carbonyl]-3-fluorophenoxy}hexyl)(methyl)(prop-2-en-1-yl)amine ChemAxon Traditional IUPAC Name (6-{4-[(4-bromophenyl)carbonyl]-3-fluorophenoxy}hexyl)(methyl)prop-2-en-1-ylamine ChemAxon Molecular Weight 448.368 ChemAxon Monoisotopic Weight 447.120919965 ChemAxon SMILES CN(CCCCCCOC1=CC=C(C(=O)C2=CC=C(Br)C=C2)C(F)=C1)CC=C ChemAxon Molecular Formula C23H27BrFNO2 ChemAxon InChI InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3 ChemAxon InChIKey InChIKey=CMYCCJYVZIMDFU-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 29.54 ChemAxon Refractivity 116.83 ChemAxon Polarizability 46.06 ChemAxon Rotatable Bond Count 12 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 0 ChemAxon pKa (strongest basic) 9.42 ChemAxon Physiological Charge 1 ChemAxon Number of Rings 2 ChemAxon Bioavailability 0 ChemAxon PubChem Compound 1949 PubChem Substance 46505901 ChemSpider 1873 PDB R71 BE0001466 Lanosterol synthase Human # Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284 # Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423 unknown Lanosterol synthase Translation, ribosomal structure and biogenesis Catalyzes the cyclization of (S)-2,3 oxidosqualene to lanosterol, a reaction that forms the sterol nucleus LSS None 6.6 83310.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:6708 GenAtlas LSS GeneCards LSS GenBank Gene Database U22526 GenBank Protein Database 951314 UniProtKB P48449 UniProt Accession ERG7_HUMAN 2,3-epoxysqualene--lanosterol cyclase EC 5.4.99.7 OSC Oxidosqualene--lanosterol cyclase >Lanosterol synthase MTEGTCLRRRGGPYKTEPATDLGRWRLNCERGRQTWTYLQDERAGREQTGLEAYALGLDT KNYFKDLPKAHTAFEGALNGMTFYVGLQAEDGHWTGDYGGPLFLLPGLLITCHVARIPLP AGYREEIVRYLRSVQLPDGGWGLHIEDKSTVFGTALNYVSLRILGVGPDDPDLVRARNIL HKKGGAVAIPSWGKFWLAVLNVYSWEGLNTLFPEMWLFPDWAPAHPSTLWCHCRQVYLPM SYCYAVRLSAAEDPLVQSLRQELYVEDFASIDWLAQRNNVAPDELYTPHSWLLRVVYALL NLYEHHHSAHLRQRAVQKLYEHIVADDRFTKSISIGPISKTINMLVRWYVDGPASTAFQE HVSRIPDYLWMGLDGMKMQGTNGSQIWDTAFAIQALLEAGGHHRPEFSSCLQKAHEFLRL SQVPDNPPDYQKYYRQMRKGGFSFSTLDCGWIVSDCTAEALKAVLLLQEKCPHVTEHIPR ERLCDAVAVLLNMRNPDGGFATYETKRGGHLLELLNPSEVFGDIMIDYTYVECTSAVMQA LKYFHKRFPEHRAAEIRETLTQGLEFCRRQQRADGSWEGSWGVCFTYGTWFGLEAFACMG QTYRDGTACAEVSRACDFLLSRQMADGGWGEDFESCEERRYLQSAQSQIHNTCWAMMGLM AVRHPDIEAQERGVRCLLEKQLPNGDWPQENIAGVFNKSCAISYTSYRNIFPIWALGRFS QLYPERALAGHP >2199 bp ATGACGGAGGGCACGTGTCTGCGGCGCCGAGGGGGCCCCTACAAGACCGAGCCCGCCACC GACCTCGGCCGCTGGCGACTCAACTGCGAGAGGGGCCGGCAGACGTGGACCTACCTGCAG GACGAGCGCGCCGGCCGCGAGCAGACCGGCCTGGAAGCCTACGCCCTGGGGCTGGACACC AAGAATTACTTTAAGGACTTGCCCAAAGCCCACACCGCCTTTGAGGGGGCTCTGAACGGG ATGACATTTTACGTGGGGCTGCAGGCTGAGGATGGGCACTGGACGGGTGATTATGGTGGC CCACTTTTCCTCCTGCCAGGCCTCCTGATCACTTGCCACGTGGCACGCATCCCTCTGCCA GCCGGATACAGAGAAGAGATTGTGCGGTACCTGCGGTCAGTGCAGCTCCCTGACGGTGGC TGGGGCCTGCACATTGAGGATAAGTCCACCGTGTTTGGGACTGCGCTCAACTATGTGTCT CTCAGAATTCTGGGTGTTGGGCCTGACGATCCTGACCTGGTACGAGCCCGGAACATTCTT CACAAGAAAGGTGGTGCTGTGGCCATCCCCTCCTGGGGGAAGTTCTGGCTGGCTGTCCTG AATGTTTACAGCTGGGAAGGCCTCAATACCCTGTTCCCAGAGATGTGGCTGTTTCCTGAC TGGGCACCGGCACACCCCTCCACACTCTGGTGCCACTGCCGGCAGGTGTACCTGCCCATG AGCTACTGCTACGCCGTTCGGCTGAGTGCCGCGGAAGACCCGCTGGTCCAGAGCCTCCGC CAGGAGCTCTATGTGGAGGACTTCGCCAGCATTGACTGGCTGGCGCAGAGGAACAACGTG GCCCCCGACGAGCTGTACACGCCCCACAGCTGGCTGCTCCGCGTGGTATATGCGCTCCTC AACCTGTATGAGCACCACCACAGTGCCCACCTGCGGCAGCGGGCCGTGCAGAAGCTGTAT GAACACATTGTGGCCGACGACCGATTCACCAAGAGCATCAGCATCGGCCCGATCTCGAAA ACCATCAACATGCTTGTGCGCTGGTATGTGGACGGGCCCGCCTCCACTGCCTTCCAGGAG CATGTCTCCAGAATCCCGGACTATCTCTGGATGGGCCTTGACGGCATGAAAATGCAGGGC ACCAACGGCTCACAGATCTGGGACACCGCATTCGCCATCCAGGCTCTGCTTGAGGCGGGC GGGCACCACAGGCCCGAGTTTTCGTCCTGCCTGCAGAAGGCTCATGAGTTCCTGAGGCTC TCACAGGTCCCAGATAACCCTCCCGACTACCAGAAGTACTACCGCCAGATGCGCAAGGGT GGCTTCTCCTTCAGTACGCTGGACTGCGGCTGGATCGTTTCTGACTGCACGGCTGAGGCC TTGAAGGCTGTGCTGCTCCTGCAGGAGAAGTGTCCCCATGTCACCGAGCACATCCCCAGA GAACGGCTCTGCGATGCTGTGGCTGTGCTGCTGAACATGAGAAATCCAGATGGAGGGTTC GCCACCTATGAGACCAAGCGTGGGGGGCACTTGCTGGAGCTGCTGAACCCCTCGGAGGTC TTCGGGGACATCATGATTGACTACACCTATGTGGAGTGCACCTCAGCCGTGATGCAGGCG CTTAAGTATTTCCACAAGCGTTTCCCGGAGCACAGGGCAGCGGAGATCCGGGAGACCCTC ACGCAGGGCTTAGAGTTCTGTCGGCGGCAGCAGAGGGCCGATGGCTCCTGGGAAGGCTCC TGGGGAGTTTGCTTCACCTACGGCACCTGGTTTGGCCTGGAGGCCTTCGCCTGTATGGGG CAGACCTACCGAGATGGGACTGCCTGTGCAGAGGTCTCCCGGGCCTGTGACTTCCTGCTG TCCCGGCAGATGGCAGACGGAGGCTGGGGGGAGGACTTTGAGTCCTGCGAGGAGCGGCGT TATTTGCAGAGTGCCCAGTCCCAGATCCATAACACATGCTGGGCCATGATGGGGCTGATG GCCGTTCGGCATCCTGACATCGAGGCCCAGGAGAGAGGAGTCCGGTGTCTACTTGAGAAA CAGCTCCCCAATGGCGACTGGCCGCAGGAAAACATTGCTGGGGTCTTCAACAAGTCCTGT GCCATCTCCTACACGAGCTACAGGAACATCTTCCCCATCTGGGCCCTCGGCCGCTTCTCC CAGCTGTACCCTGAGAGAGCCCTTGCTGGCCACCCCTGA PF00432 Prenyltrans function catalytic activity function lyase activity process physiological process process metabolism "

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