Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04085"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| owl:sameAs | |
| rdfs:label |
"1-[Pyrrol-1-Yl-2,5-Dione-Methoxymethyl]-Pyrrole-2,5-Dione"
|
| drugbank:description |
"
experimental
This compound belongs to the n-substituted carboxylic acid imides. These are compounds comprising an N-substituted carboxylic acid imide group, with the general structure R1N(C(R2)=O)C(R3)=O (R2,R3=H, alkyl, aryl; R1=Anything but H).
N-substituted Carboxylic Acid Imides
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Carboxylic Acid Derivatives
Tertiary Carboxylic Acid Amides
Pyrrolines
Tertiary Amines
Polyamines
Ethers
Carboxylic Acids
tertiary carboxylic acid amide
pyrroline
tertiary amine
carboxamide group
carboxylic acid
polyamine
ether
amine
organonitrogen compound
logP
-0.45
ALOGPS
logS
-1.4
ALOGPS
Water Solubility
1.04e+01 g/l
ALOGPS
logP
-0.82
ChemAxon
IUPAC Name
1-{[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methoxy]methyl}-2,5-dihydro-1H-pyrrole-2,5-dione
ChemAxon
Traditional IUPAC Name
1-{[(2,5-dioxopyrrol-1-yl)methoxy]methyl}pyrrole-2,5-dione
ChemAxon
Molecular Weight
236.1809
ChemAxon
Monoisotopic Weight
236.043321376
ChemAxon
SMILES
O=C1C=CC(=O)N1COCN1C(=O)C=CC1=O
ChemAxon
Molecular Formula
C10H8N2O5
ChemAxon
InChI
InChI=1S/C10H8N2O5/c13-7-1-2-8(14)11(7)5-17-6-12-9(15)3-4-10(12)16/h1-4H,5-6H2
ChemAxon
InChIKey
InChIKey=UTRLJOWPWILGSB-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
83.99
ChemAxon
Refractivity
55.19
ChemAxon
Polarizability
21.1
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest basic)
-4.2
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
84836
PubChem Substance
46504948
ChemSpider
76530
PDB
OPP
BE0001337
Azurin
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
# 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
Azurin
Energy production and conversion
Transfers electrons from cytochrome c551 to cytochrome oxidase
azu
Periplasm
None
6.93
16009.0
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
GenBank Gene Database
X07317
GenBank Protein Database
45292
UniProtKB
P00282
UniProt Accession
AZUR_PSEAE
Azurin precursor
>Azurin precursor
MLRKLAAVSLLSLLSAPLLAAECSVDIQGNDQMQFNTNAITVDKSCKQFTVNLSHPGNLP
KNVMGHNWVLSTAADMQGVVTDGMASGLDKDYLKPDDSRVIAHTKLIGSGEKDSVTFDVS
KLKEGEQYMFFCTFPGHSALMKGTLTLK
>447 bp
ATGCTACGTAAACTCGCTGCGGTATCCCTGCTGTCCCTGCTCAGTGCGCCGCTGCTGGCT
GCCGAGTGCTCGGTGGACATCCAGGGTAACGACCAGATGCAGTTCAACACCAATGCCATC
ACCGTCGACAAGAGCTGCAAGCAGTTCACCGTCAACCTGTCCCACCCCGGCAACCTGCCG
AAGAACGTCATGGGCCACAACTGGGTACTGAGCACCGCCGCCGACATGCAGGGCGTGGTC
ACCGACGGCATGGCTTCCGGCCTGGACAAGGATTACCTGAAGCCCGACGACAGCCGCGTC
ATCGCCCACACCAAGCTGATCGGCTCGGGCGAGAAGGACTCGGTGACCTTCGACGTCTCC
AAGCTGAAGGAAGGCGAGCAGTACATGTTCTTCTGCACCTTCCCGGGCCACTCCGCGCTG
ATGAAGGGCACCCTGACCCTGAAGTGA
PF00127
Copper-bind
function
ion binding
function
cation binding
function
transition metal ion binding
function
transporter activity
function
electron transporter activity
function
binding
function
copper ion binding
process
metabolism
process
cellular metabolism
process
generation of precursor metabolites and energy
process
electron transport
process
physiological process
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object