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CHEBI:76128 - dexketoprofen

Default Structure
ChEBI IDCHEBI:76128
ChEBI Namedexketoprofen
Stars
DefinitionA monocarboxylic acid that is (S)-hydratropic acid substituted at position 3 on the phenyl ring by a benzoyl group. A cyclooxygenase inhibitor, it is used to relieve short-term pain, such as muscular pain, dental pain and dysmenorrhoea.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC16H14O3
Net Charge0
Average Mass254.285
Monoisotopic Mass254.09429
SMILESC[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1
InChIKeyDKYWVDODHFEZIM-NSHDSACASA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
non-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
cyclooxygenase 2 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
cyclooxygenase 1 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1.
Applications:
non-narcotic analgesic  A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
non-steroidal anti-inflammatory drug  An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
vulnerary  A drug used in treating and healing of wounds.
ChEBI Ontology
Outgoing Relation(s)
dexketoprofen (CHEBI:76128) has functional parent (S)-hydratropic acid (CHEBI:48527)
dexketoprofen (CHEBI:76128) has role analgesic (CHEBI:35480)
dexketoprofen (CHEBI:76128) has role cyclooxygenase 1 inhibitor (CHEBI:50630)
dexketoprofen (CHEBI:76128) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
dexketoprofen (CHEBI:76128) has role non-narcotic analgesic (CHEBI:35481)
dexketoprofen (CHEBI:76128) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
dexketoprofen (CHEBI:76128) has role vulnerary (CHEBI:73336)
dexketoprofen (CHEBI:76128) is a benzophenones (CHEBI:22726)
dexketoprofen (CHEBI:76128) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
(2S)-2-(3-benzoylphenyl)propanoic acid
INNs  Source
dexketoprofenKEGG DRUG
dexketoprofeneWHO MedNet
dexketoprofenoWHO MedNet
Synonyms  Source
(+)-3-Benzoylhydratropic acidChemIDplus
ArvelesChEMBL
(+)-KetoprofenChemIDplus
Ketoprofen, (s)-ChEMBL
(S)-3-Benzoyl-alpha-methylbenzeneacetic acidChemIDplus
(S)-KetoprofenChemIDplus
Brand Name  Source
KeralChEMBL
Manual XrefsDatabases
833DrugCentral
D07269KEGG DRUG
DexketoprofenWikipedia
HMDB0041873HMDB
LSM-5547LINCS
WO2005046575Patent
WO2008115572Patent
WO2008150324Patent
Registry NumbersSources
Reaxys:5271646Reaxys
CAS:22161-81-5KEGG DRUG
CAS:22161-81-5ChemIDplus
Citations