Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02728"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
Coumarins and Derivatives
Organic Compounds
Phenylpropanoids and Polyketides
Coumarins and Derivatives
Benzopyrans
Pyranones and Derivatives
Phenols and Derivatives
Carboxylic Acid Esters
Enolates
Dialkyl Ethers
Polyamines
Enols
phenol derivative
pyranone
pyran
benzene
carboxylic acid ester
enolate
ether
enol
dialkyl ether
polyamine
carboxylic acid derivative
logP
2.34
ALOGPS
logS
-2.5
ALOGPS
Water Solubility
8.06e-01 g/l
ALOGPS
logP
1.8
ChemAxon
IUPAC Name
ethyl 7-hydroxy-2-oxo-2H-chromene-3-carboxylate
ChemAxon
Traditional IUPAC Name
ethyl 7-hydroxy-2-oxochromene-3-carboxylate
ChemAxon
Molecular Weight
234.2048
ChemAxon
Monoisotopic Weight
234.05282343
ChemAxon
SMILES
CCOC(=O)C1=CC2=CC=C(O)C=C2OC1=O
ChemAxon
Molecular Formula
C12H10O5
ChemAxon
InChI
InChI=1S/C12H10O5/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6,13H,2H2,1H3
ChemAxon
InChIKey
InChIKey=IETDBZQIWIJQJG-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
72.83
ChemAxon
Refractivity
59.12
ChemAxon
Polarizability
22.59
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
7.67
ChemAxon
pKa (strongest basic)
-7
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
5289613
PubChem Substance
46504817
ChemSpider
4451547
PDB
YZ9
BE0001855
Macrophage migration inhibitory factor
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
Macrophage migration inhibitory factor
Involved in cytokine activity
The expression of MIF at sites of inflammation suggest a role for the mediator in regulating the function of macrophage in host defense. Also acts as a phenylpyruvate tautomerase
MIF
22q11.23
None
8.05
12476.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:7097
GenAtlas
MIF
GeneCards
MIF
GenBank Gene Database
M25639
GenBank Protein Database
188556
UniProtKB
P14174
UniProt Accession
MIF_HUMAN
EC 5.3.2.1
GIF
Glycosylation-inhibiting factor
MIF
Phenylpyruvate tautomerase
>Macrophage migration inhibitory factor
MPMFIVNTNVPRASVPDGFLSELTQQLAQATGKPPQYIAVHVVPDQLMAFGGSSEPCALC
SLHSIGKIGGAQNRSYSKLLCGLLAERLRISPDRVYINYYDMNAANVGWNNSTFA
>348 bp
ATGCCGATGTTCATCGTAAACACCAACGTGCCCCGCGCCTCCGTGCCGGACGGGTTCCTC
TCCGAGCTCACCCAGCAGCTGGCGCAGGCCACCGGCAAGCCCCCCCAGTACATCGCGGTG
CACGTGGTCCCGGACCAGCTCATGGCCTTCGGCGGCTCCAGCGAGCCGTGCGCGCTCTGC
AGCCTGCACAGCATCGGCAAGATCGGCGGCGCGCAGAACCGCTCCTACAGCAAGCTGCTG
TGCGGCCTGCTGGCCGAGCGCCTGCGCATCAGCCCGGACAGGGTCTACATCAACTATTAC
GACATGAACGCGGCCAGTGTGGGCTGGAACAACTCCACCTTCGCCTAA
PF01187
MIF
"
|
| rdf:type | |
| rdfs:label |
"7-Hydroxy-2-Oxo-Chromene-3-Carboxylic Acid Ethyl Ester"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object