Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02417"

Predicate	Value (sorted: default)
rdfs:label	"2,4,6-Tribromophenol"
rdf:type	ns1:drugs
ns1:description	" 118-79-6 experimental This compound belongs to the p-bromophenols. p-Bromophenols Organic Compounds Benzenoids Benzene and Substituted Derivatives Phenols and Derivatives o-Bromophenols Bromobenzenes Aryl Bromides Enols Polyamines Organobromides bromobenzene aryl halide aryl bromide enol polyamine organobromide organohalogen logP 4.2 ALOGPS logS -3.8 ALOGPS Water Solubility 5.45e-02 g/l ALOGPS logP 3.98 ChemAxon IUPAC Name 2,4,6-tribromophenol ChemAxon Traditional IUPAC Name 2,4,6-tribromophenol ChemAxon Molecular Weight 330.799 ChemAxon Monoisotopic Weight 327.773402659 ChemAxon SMILES OC1=C(Br)C=C(Br)C=C1Br ChemAxon Molecular Formula C6H3Br3O ChemAxon InChI InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H ChemAxon InChIKey InChIKey=BSWWXRFVMJHFBN-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 20.23 ChemAxon Refractivity 50.91 ChemAxon Polarizability 19.92 ChemAxon Rotatable Bond Count 0 ChemAxon H Bond Acceptor Count 1 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 6.34 ChemAxon pKa (strongest basic) -7.7 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Water Solubility 70 mg/L (at 15 Â°C) YALKOWSKY,SH & DANNENFELSER,RM (1992) Melting Point 95.5 Â°C PhysProp Boiling Point 286 Â°C PhysProp logP 4.13 HANSCH,C ET AL. (1995) pKa 6.8 (at 25 Â°C) SERJEANT,EP & DEMPSEY,B (1979) PubChem Compound 1483 PubChem Substance 46508747 KEGG Compound C14454 ChemSpider 1438 PDB TBP BE0000337 Transthyretin 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 Transthyretin Involved in steroid binding Thyroid hormone-binding protein. Probably transports thyroxine from the bloodstream to the brain TTR 18q12.1 Secreted protein None 5.58 15887.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:12405 GenAtlas TTR GeneCards TTR GenBank Gene Database K02091 GenBank Protein Database 189582 UniProtKB P02766 UniProt Accession TTHY_HUMAN ATTR Prealbumin TBPA Transthyretin precursor TTR >Transthyretin precursor MASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDT WEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDS GPRRYTIAALLSPYSYSTTAVVTNPKE >444 bp ATGGCTTCTCATCGTCTGCTCCTCCTCTGCCTTGCTGGACTGGTATTTGTGTCTGAGGCT GGCCCTACGGGCACCGGTGAATCCAAGTGTCCTCTGATGGTCAAAGTTCTAGATGCTGTC CGAGGCAGTCCTGCCATCAATGTGGCCGTGCATGTGTTCAGAAAGGCTGCTGATGACACC TGGGAGCCATTTGCCTCTGGGAAAACCAGTGAGTCTGGAGAGCTGCATGGGCTCACAACT GAGGAGGAATTTGTAGAAGGGATATACAAAGTGGAAATAGACACCAAATCTTACTGGAAG GCACTTGGCATCTCCCCATTCCATGAGCATGCAGAGGTGGTATTCACAGCCAACGACTCC GGCCCCCGCCGCTACACCATTGCCGCCCTGCTGAGCCCCTACTCCTATTCCACCACGGCT GTCGTCACCAATCCCAAGGAATGA PF00576 Transthyretin function transporter activity function carrier activity function steroid binding function binding process cellular physiological process process transport process physiological process "
owl:sameAs	?:EXPT03018

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

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