Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01751"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| drugbank:description |
"
experimental
This compound belongs to the diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
Diarylethers
Organic Compounds
Organooxygen Compounds
Ethers
Diarylethers
Phenylacetic Acid Derivatives
o-Iodophenols
Phenol Ethers
Iodobenzenes
Aryl Iodides
Polyamines
Enols
Carboxylic Acids
Enolates
Organoiodides
2-iodophenol
phenol ether
2-halophenol
phenol derivative
iodobenzene
benzene
aryl iodide
aryl halide
carboxylic acid
polyamine
enol
enolate
carboxylic acid derivative
organohalogen
organoiodide
logP
4.99
ALOGPS
logS
-5.2
ALOGPS
Water Solubility
4.89e-03 g/l
ALOGPS
logP
6.52
ChemAxon
IUPAC Name
2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetic acid
ChemAxon
Traditional IUPAC Name
tetraiodothyroacetic acid
ChemAxon
Molecular Weight
747.8288
ChemAxon
Monoisotopic Weight
747.660132424
ChemAxon
SMILES
OC(=O)CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1
ChemAxon
Molecular Formula
C14H8I4O4
ChemAxon
InChI
InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)
ChemAxon
InChIKey
InChIKey=PPJYSSNKSXAVDB-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
66.76
ChemAxon
Refractivity
119.04
ChemAxon
Polarizability
45.76
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
2.25
ChemAxon
pKa (strongest basic)
-6.9
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
0
ChemAxon
PubChem Compound
65552
PubChem Substance
46508408
ChemSpider
58995
PDB
T4A
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
# 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
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
"
|
| rdfs:label |
"3,3',5,5'-Tetraiodothyroacetic Acid"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object