Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02417"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdfs:label |
"2,4,6-Tribromophenol"
|
| rdf:type | |
| drugbank: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 °C)
YALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting Point
95.5 °C
PhysProp
Boiling Point
286 °C
PhysProp
logP
4.13
HANSCH,C ET AL. (1995)
pKa
6.8 (at 25 °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
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object