Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01902"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the pyrrolidones. These are compounds containing a pyrrolidine ring which bears a ketone.
Pyrrolidones
Organic Compounds
Heterocyclic Compounds
Pyrrolidines
Pyrrolidones
N-substituted Carboxylic Acid Imides
Tertiary Carboxylic Acid Amides
Lactams
Tertiary Amines
Polyamines
Carboxylic Acids
tertiary carboxylic acid amide
carboxylic acid imide
tertiary amine
carboxamide group
lactam
carboxylic acid derivative
polyamine
carboxylic acid
amine
organonitrogen compound
logP
-0.09
ALOGPS
logS
0.68
ALOGPS
Water Solubility
6.15e+02 g/l
ALOGPS
logP
-0.41
ChemAxon
IUPAC Name
1-ethylpyrrolidine-2,5-dione
ChemAxon
Traditional IUPAC Name
N-ethylsuccinimide
ChemAxon
Molecular Weight
127.1412
ChemAxon
Monoisotopic Weight
127.063328537
ChemAxon
SMILES
CCN1C(=O)CCC1=O
ChemAxon
Molecular Formula
C6H9NO2
ChemAxon
InChI
InChI=1S/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3
ChemAxon
InChIKey
InChIKey=GHAZCVNUKKZTLG-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
37.38
ChemAxon
Refractivity
31.93
ChemAxon
Polarizability
12.71
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest basic)
-6.7
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
44348
PubChem Compound
16842
PubChem Substance
46507776
ChemSpider
15961
PDB
NEN
BE0004508
Vesicle-fusing ATPase
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
Vesicle-fusing ATPase
NSF
Human
UniProtKB
P46459
UniProt Accession
NSF_HUMAN
BE0004574
ERO1-like protein beta
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
ERO1-like protein beta
ERO1LB
Human
UniProtKB
Q86YB8
UniProt Accession
ERO1B_HUMAN
"
|
| owl:sameAs | |
| rdf:type | |
| rdfs:label |
"1-Ethyl-Pyrrolidine-2,5-Dione"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object