Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03167"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the p-bromophenols.
p-Bromophenols
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Phenols and Derivatives
o-Bromophenols
m-Bromophenols
Bromobenzenes
Aryl Bromides
Enols
Polyamines
Organobromides
bromobenzene
aryl halide
aryl bromide
enol
polyamine
organobromide
organohalogen
logP
5.3
ALOGPS
logS
-5.4
ALOGPS
Water Solubility
2.06e-03 g/l
ALOGPS
logP
5.51
ChemAxon
IUPAC Name
pentabromophenol
ChemAxon
Traditional IUPAC Name
pentabromophenol
ChemAxon
Molecular Weight
488.592
ChemAxon
Monoisotopic Weight
483.594427889
ChemAxon
SMILES
OC1=C(Br)C(Br)=C(Br)C(Br)=C1Br
ChemAxon
Molecular Formula
C6HBr5O
ChemAxon
InChI
InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
ChemAxon
InChIKey
InChIKey=SVHOVVJFOWGYJO-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
20.23
ChemAxon
Refractivity
66.15
ChemAxon
Polarizability
26.18
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
5.01
ChemAxon
pKa (strongest basic)
-8.4
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
PubChem Compound
11852
PubChem Substance
46507941
PDB
PBR
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
"
|
| rdf:type | |
| owl:sameAs | |
| rdfs:label |
"Pentabromophenol"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object