Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07494"

PredicateValue (sorted: default)
rdfs:label
"(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE"
rdf:type
drugbank:description
" experimental This compound belongs to the dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene connected by a cycloheptene ring. Dibenzocycloheptenes Organic Compounds Benzenoids Dibenzocycloheptenes Tropanes Piperidines Benzene and Substituted Derivatives Pyrrolidines Dialkyl Ethers Polyamines tropane piperidine benzene pyrrolidine dialkyl ether polyamine ether amine organonitrogen compound logP 1.31 ALOGPS logS -8.1 ALOGPS Water Solubility 2.76e-06 g/l ALOGPS logP 0.59 ChemAxon IUPAC Name (1R,3R,5S)-8,8-dimethyl-3-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yloxy}-8-azabicyclo[3.2.1]octan-8-ium ChemAxon Traditional IUPAC Name (1R,3R,5S)-8,8-dimethyl-3-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yloxy}-8-azabicyclo[3.2.1]octan-8-ium ChemAxon Molecular Weight 348.5011 ChemAxon Monoisotopic Weight 348.232739587 ChemAxon SMILES [H][C@]12CC[C@]([H])(C[C@]([H])(C1)OC1C3=CC=CC=C3CCC3=C1C=CC=C3)[N+]2(C)C ChemAxon Molecular Formula C24H30NO ChemAxon InChI InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1/t19-,20+,21- ChemAxon InChIKey InChIKey=BADPXOSJBUEVTR-WKCHPHFGSA-N ChemAxon Polar Surface Area (PSA) 9.23 ChemAxon Refractivity 118.43 ChemAxon Polarizability 41 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 1 ChemAxon H Bond Donor Count 0 ChemAxon pKa (strongest basic) -4.2 ChemAxon Physiological Charge 1 ChemAxon Number of Rings 5 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 21124461 PubChem Substance 99443965 PDB BS1 BE0003963 CHRNA7-FAM7A fusion protein 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 CHRNA7-FAM7A fusion protein Involved in extracellular ligand-gated ion channel acti CHRFAM7A 15q13.1 Membrane 144-164 172-192 205-225 240-254 380-400 6.55 46217.3 Human HUGO Gene Nomenclature Committee (HGNC) GNC:15781 GeneCards CHRFAM7A GenBank Gene Database AK292984 GenBank Protein Database 158259429 UniProtKB Q494W8 UniProt Accession CRFM7_HUMAN CHRNA7-DR1 D-10 >CHRNA7-FAM7A fusion protein MQKYCIYQHFQFQLLIQHLWIAANCDIADERFDATFHTNVLVNSSGHCQYLPPGIFKSSC YIDVRWFPFDVQHCKLKFGSWSYGGWSLDLQMQEADISGYIPNGEWDLVGIPGKRSERFY ECCKEPYPDVTFTVTMRRRTLYYGLNLLIPCVLISALALLVFLLPADSGEKISLGITVLL SLTVFMLLVAEIMPATSDSVPLIAQYFASTMIIVGLSVVVTVIVLQYHHHDPDGGKMPKW TRVILLNWCAWFLRMKRPGEDKVRPACQHKQRRCSLASVEMSAVAPPPASNGNLLYIGFR GLDGVHCVPTPDSGVVCGRMACSPTHDEHLLHGGQPPEGDPDLAKILEEVRYIANRFRCQ DESEAVCSEWKFAACVVDRLCLMAFSVFTIICTIGILMSAPNFVEAVSKDFA >1239 bp ATGCAAAAATATTGCATCTACCAGCATTTTCAGTTCCAATTGCTAATCCAGCATTTGTGG ATAGCTGCAAACTGTGATATTGCTGATGAGCGCTTTGACGCCACATTCCACACTAACGTG TTGGTGAATTCTTCTGGGCATTGCCAGTACCTGCCTCCAGGCATATTCAAGAGTTCCTGC TACATCGATGTACGCTGGTTTCCCTTTGATGTGCAGCACTGCAAACTGAAGTTTGGGTCC TGGTCTTACGGAGGCTGGTCCTTGGATCTGCAGATGCAGGAGGCAGATATCAGTGGCTAT ATCCCCAATGGAGAATGGGACCTAGTGGGAATCCCCGGCAAGAGGAGTGAAAGGTTCTAT GAGTGCTGCAAAGAGCCCTACCCTGATGTCACCTTCACAGTGACCATGCGCCGCAGGACA CTCTACTATGGCCTCAACCTGCTGATCCCCTGTGTGCTCATCTCCGCCCTCGCCCTGCTG GTGTTCCTGCTTCCTGCAGATTCCGGGGAGAAGATTTCCCTGGGGATAACAGTCTTACTC TCTCTTACCGTCTTCATGCTGCTCGTGGCTGAGATCATGCCCGCAACATCCGATTCGGTA CCATTGATAGCCCAGTACTTCGCCAGCACCATGATCATCGTGGGCCTCTCGGTGGTGGTG ACGGTGATCGTGCTGCAGTACCACCACCACGACCCCGACGGGGGCAAGATGCCCAAGTGG ACCAGAGTCATCCTTCTGAACTGGTGCGCGTGGTTCCTGCGAATGAAGAGGCCCGGGGAG GACAAGGTGCGCCCGGCCTGCCAGCACAAGCAGCGGCGCTGCAGCCTGGCCAGTGTGGAG ATGAGCGCCGTGGCGCCGCCGCCCGCCAGCAACGGGAACCTGCTGTACATCGGCTTCCGC GGCCTGGACGGCGTGCACTGTGTCCCGACCCCCGACTCTGGGGTAGTGTGTGGCCGCATG GCCTGCTCCCCCACGCACGATGAGCACCTCCTGCACGGTGGGCAACCCCCCGAGGGGGAC CCGGACTTGGCCAAGATCCTGGAGGAGGTCCGCTACATTGCCAACCGCTTCCGCTGCCAG GACGAAAGCGAGGCGGTCTGCAGCGAGTGGAAGTTCGCCGCCTGTGTGGTGGACCGCCTG TGCCTCATGGCCTTCTCGGTCTTCACCATCATCTGCACCATCGGCATCCTGATGTCGGCT CCCAACTTCGTGGAGGCCGTGTCCAAAGACTTTGCGTAA PF02931 Neur_chan_LBD PF02932 Neur_chan_memb component cell component postsynaptic membrane component intrinsic to membrane component integral to membrane component membrane function receptor activity function transporter activity function ligand-gated ion channel activity function extracellular ligand-gated ion channel activity function neurotransmitter receptor activity function ion transporter activity function ion channel activity function signal transducer activity process cellular physiological process process transport process ion transport process physiological process "

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

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