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Namespace Prefixes

PrefixIRI
n2http://linked.opendata.cz/resource/drugbank/drug/
dctermshttp://purl.org/dc/terms/
n8http://linked.opendata.cz/resource/mesh/concept/
n10http://linked.opendata.cz/resource/drugbank/drug/DB08809/identifier/chebi/
n16http://bio2rdf.org/drugbank:
n12http://linked.opendata.cz/resource/drugbank/drug/DB08809/identifier/wikipedia/
n15http://linked.opendata.cz/resource/drugbank/drug/DB08809/identifier/pharmgkb/
admshttp://www.w3.org/ns/adms#
n13http://linked.opendata.cz/resource/drugbank/drug/DB08809/identifier/kegg-compound/
n6http://wifo5-03.informatik.uni-mannheim.de/drugbank/resource/drugs/
rdfhttp://www.w3.org/1999/02/22-rdf-syntax-ns#
owlhttp://www.w3.org/2002/07/owl#
n7http://linked.opendata.cz/ontology/mesh/
n3http://linked.opendata.cz/ontology/drugbank/
n4http://linked.opendata.cz/resource/drugbank/property/
n11http://linked.opendata.cz/resource/drugbank/drug/DB08809/identifier/drugbank/
xsdhhttp://www.w3.org/2001/XMLSchema#

Statements

Subject Item
n2:DB08809
rdf:type
n3:Drug
n3:description
Dichloroacetic acid, often abbreviated DCA, is an acid analogue of acetic acid in which two of the three hydrogen atoms of the methyl group have been replaced by chlorine atoms. The salts and esters of dichloroacetic acid are called dichloroacetates. Salts of DCA are used as drugs since they inhibit the enzyme pyruvate dehydrogenase kinase. Early reports of its activity against brain cancer cells led patients to treat themselves with DCA, which is commercially available in non-pharmaceutical grade. A phase 1 study in 5 patients concluded that DCA was safe, but wasn't designed to establish effectiveness.
n3:group
experimental
owl:sameAs
n6:DB08809 n16:DB08809
dcterms:title
Dichloroacetic Acid
adms:identifier
n10:36386 n11:DB08809 n12:Dichloroacetic_acid n13:C11149 n15:PA165947835
n3:synonym
DCA dichloroacetate
n3:toxicity
ORAL (LD50): Acute: 2820 mg/kg [Rat]; DERMAL (LD50): Acute: 510 mg/kg [Rabbit]
n3:synthesisReference
Joanne D. Burger, William L. Howard, "Method for preparing pentachloroacetone and dichloroacetic acid from isopropyl ethers." U.S. Patent US3996272, issued August, 1968.
n7:hasConcept
n8:M0006267
n3:IUPAC-Name
n4:271B562A-363D-11E5-9242-09173F13E4C5
n3:InChI
n4:271B5630-363D-11E5-9242-09173F13E4C5
n3:Molecular-Formula
n4:271B562F-363D-11E5-9242-09173F13E4C5
n3:Molecular-Weight
n4:271B562C-363D-11E5-9242-09173F13E4C5
n3:Monoisotopic-Weight
n4:271B562D-363D-11E5-9242-09173F13E4C5
n3:SMILES
n4:271B562E-363D-11E5-9242-09173F13E4C5
n3:Water-Solubility
n4:271B563F-363D-11E5-9242-09173F13E4C5 n4:271B5628-363D-11E5-9242-09173F13E4C5
n3:logP
n4:271B5642-363D-11E5-9242-09173F13E4C5 n4:271B5626-363D-11E5-9242-09173F13E4C5 n4:271B5629-363D-11E5-9242-09173F13E4C5
n3:logS
n4:271B5627-363D-11E5-9242-09173F13E4C5
n3:pKa
n4:271B5643-363D-11E5-9242-09173F13E4C5
n3:H-Bond-Acceptor-Count
n4:271B5636-363D-11E5-9242-09173F13E4C5
n3:H-Bond-Donor-Count
n4:271B5637-363D-11E5-9242-09173F13E4C5
n3:InChIKey
n4:271B5631-363D-11E5-9242-09173F13E4C5
n3:Polar-Surface-Area--PSA-
n4:271B5632-363D-11E5-9242-09173F13E4C5
n3:Polarizability
n4:271B5634-363D-11E5-9242-09173F13E4C5
n3:Refractivity
n4:271B5633-363D-11E5-9242-09173F13E4C5
n3:Rotatable-Bond-Count
n4:271B5635-363D-11E5-9242-09173F13E4C5
n3:casRegistryNumber
79-43-6
n3:Bioavailability
n4:271B563B-363D-11E5-9242-09173F13E4C5
n3:Boiling-Point
n4:271B5641-363D-11E5-9242-09173F13E4C5
n3:Ghose-Filter
n4:271B563D-363D-11E5-9242-09173F13E4C5
n3:MDDR-Like-Rule
n4:271B563E-363D-11E5-9242-09173F13E4C5
n3:Melting-Point
n4:271B5640-363D-11E5-9242-09173F13E4C5
n3:Number-of-Rings
n4:271B563A-363D-11E5-9242-09173F13E4C5
n3:Physiological-Charge
n4:271B5639-363D-11E5-9242-09173F13E4C5
n3:Rule-of-Five
n4:271B563C-363D-11E5-9242-09173F13E4C5
n3:Traditional-IUPAC-Name
n4:271B562B-363D-11E5-9242-09173F13E4C5
n3:pKa--strongest-acidic-
n4:271B5638-363D-11E5-9242-09173F13E4C5