Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01827"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
Benzamides
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Benzamides
Benzoyl Derivatives
Anisoles
Alkyl Aryl Ethers
Fluorobenzenes
Aryl Fluorides
Primary Carboxylic Acid Amides
Carboxylic Acids
Polyamines
Enolates
Organofluorides
benzoyl
phenol ether
anisole
alkyl aryl ether
fluorobenzene
aryl halide
aryl fluoride
carboxamide group
primary carboxylic acid amide
ether
enolate
carboxylic acid
carboxylic acid derivative
polyamine
organohalogen
organofluoride
amine
organonitrogen compound
logP
1.31
ALOGPS
logS
-2.9
ALOGPS
Water Solubility
3.09e-01 g/l
ALOGPS
logP
1.24
ChemAxon
IUPAC Name
2,3,5,6-tetrafluoro-4-methoxybenzamide
ChemAxon
Traditional IUPAC Name
2,3,5,6-tetrafluoro-4-methoxybenzamide
ChemAxon
Molecular Weight
223.1244
ChemAxon
Monoisotopic Weight
223.025641229
ChemAxon
SMILES
COC1=C(F)C(F)=C(C(N)=O)C(F)=C1F
ChemAxon
Molecular Formula
C8H5F4NO2
ChemAxon
InChI
InChI=1S/C8H5F4NO2/c1-15-7-5(11)3(9)2(8(13)14)4(10)6(7)12/h1H3,(H2,13,14)
ChemAxon
InChIKey
InChIKey=JTXPTSGPUNTKSM-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
52.32
ChemAxon
Refractivity
42.47
ChemAxon
Polarizability
15.8
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
10.49
ChemAxon
pKa (strongest basic)
-3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
657081
PubChem Substance
46504979
ChemSpider
571287
PDB
BEK
BE0001353
Galectin-3
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
Galectin-3
Translation, ribosomal structure and biogenesis
Galactose-specific lectin which binds IgE. May mediate with the alpha-3, beta-1 integrin the stimulation by CSPG4 of endothelial cells migration
LGALS3
14q21-q22
Nucleus. Note=Cytoplasmic in adenomas and carcinomas. May be secreted by a non-classical secretory p
None
8.82
26189.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:6563
GenAtlas
LGALS3
GeneCards
LGALS3
GenBank Gene Database
M57710
GenBank Protein Database
179531
UniProtKB
P17931
UniProt Accession
LEG3_HUMAN
35 kDa lectin
Carbohydrate-binding protein 35
CBP 35
Galactose-specific lectin 3
Galactoside-binding protein
GALBP
IgE-binding protein
L-31
Laminin-binding protein
Lectin L-29
Mac-2 antigen
>Galectin-3
MADNFSLHDALSGSGNPNPQGWPGAWGNQPAGAGGYPGASYPGAYPGQAPPGAYPGQAPP
GAYHGAPGAYPGAPAPGVYPGPPSGPGAYPSSGQPSAPGAYPATGPYGAPAGPLIVPYNL
PLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNN
WGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDI
DLTSASYTMI
>753 bp
ATGGCAGACAATTTTTCGCTCCATGATGCGTTATCTGGGTCTGGAAACCCAAACCCTCAA
GGATGGCCTGGCGCATGGGGGAACCAGCCTGCTGGGGCAGGGGGCTACCCAGGGGCTTCC
TATCCTGGGGCCTACCCCGGGCAGGCACCCCCAGGGGCTTATCCTGGACAGGCACCTCCA
GGCGCCTACCATGGAGCACCTGGAGCTTATCCCGGAGCACCTGCACCTGGAGTCTACCCA
GGGCCACCCAGCGGCCCTGGGGCCTACCCATCTTCTGGACAGCCAAGTGCCCCCGGAGCC
TACCCTGCCACTGGCCCCTATGGCGCCCCTGCTGGGCCACTGATTGTGCCTTATAACCTG
CCTTTGCCTGGGGGAGTGGTGCCTCGCATGCTGATAACAATTCTGGGCACGGTGAAGCCC
AATGCAAACAGAATTGCTTTAGATTTCCAAAGAGGGAATGATGTTGCCTTCCACTTTAAC
CCACGCTTCAATGAGAACAACAGGAGAGTCATTGTTTGCAATACAAAGCTGGATAATAAC
TGGGGAAGGGAAGAAAGACAGTCGGTTTTCCCATTTGAAAGTGGGAAACCATTCAAAATA
CAAGTACTGGTTGAACCTGACCACTTCAAGGTTGCAGTGAATGATGCTCACTTGTTGCAG
TACAATCATCGGGTTAAAAAACTCAATGAAATCAGCAAACTGGGAATTTCTGGTGACATA
GACCTCACCAGTGCTTCATATACCATGATATAA
PF00337
Gal-bind_lectin
function
binding
function
carbohydrate binding
function
sugar binding
"
|
| rdf:type | |
| rdfs:label |
"2,3,5,6-Tetrafluoro-4-Methoxy-Benzamide"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object