Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07201"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
Fluorenes
Organic Compounds
Benzenoids
Fluorenes
Benzene and Substituted Derivatives
Oxime Ethers
Enolates
Carboxylic Acids
Polyamines
benzene
oxime ether
enolate
carboxylic acid
carboxylic acid derivative
polyamine
organonitrogen compound
logP
3
ALOGPS
logS
-4.3
ALOGPS
Water Solubility
1.45e-02 g/l
ALOGPS
logP
3.42
ChemAxon
IUPAC Name
(2S)-3-({[(9E)-9H-fluoren-9-ylidene]amino}oxy)-2-methylpropanoic acid
ChemAxon
Traditional IUPAC Name
(2S)-3-{[(9E)-fluoren-9-ylideneamino]oxy}-2-methylpropanoic acid
ChemAxon
Molecular Weight
281.3059
ChemAxon
Monoisotopic Weight
281.105193351
ChemAxon
SMILES
[H][C@](C)(CON=C1C2=C(C=CC=C2)C2=C1C=CC=C2)C(O)=O
ChemAxon
Molecular Formula
C17H15NO3
ChemAxon
InChI
InChI=1S/C17H15NO3/c1-11(17(19)20)10-21-18-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
ChemAxon
InChIKey
InChIKey=ZHFDVDMCVXUGGF-NSHDSACASA-N
ChemAxon
Polar Surface Area (PSA)
58.89
ChemAxon
Refractivity
79.37
ChemAxon
Polarizability
30.33
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
4.25
ChemAxon
pKa (strongest basic)
3.39
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
46937059
PubChem Substance
99443672
PDB
6BD
BE0000337
Transthyretin
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
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
carrier activity
function
steroid binding
function
binding
function
transporter activity
process
physiological process
process
cellular physiological process
process
transport
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object