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CHEBI:134677 - crisaborole

ChEBI IDCHEBI:134677
ChEBI Namecrisaborole
Stars
DefinitionA member of the class of benzoxaboroles that is 5-hydroxy-1,3-dihydro-2,1-benzoxaborole in which the phenolic hydrogen has been replaced by a 4-cyanophenyl group. A phosphodiesterase 4 inhibitor that is used for treatment of mild to moderate atopic dermatitis in children and adults.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC14H10BNO3
Net Charge0
Average Mass251.050
Monoisotopic Mass251.07537
SMILESN#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1
InChIInChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
InChIKeyUSZAGAREISWJDP-UHFFFAOYSA-N
Roles Classification
Biological Role:
phosphodiesterase IV inhibitor  An EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor that specifically blocks the action of phosphodiesterase IV.
Applications:
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.
antipsoriatic  A drug used to treat psoriasis.
ChEBI Ontology
Outgoing Relation(s)
crisaborole (CHEBI:134677) has role antipsoriatic (CHEBI:50748)
crisaborole (CHEBI:134677) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
crisaborole (CHEBI:134677) has role phosphodiesterase IV inhibitor (CHEBI:68844)
crisaborole (CHEBI:134677) is a aromatic ether (CHEBI:35618)
crisaborole (CHEBI:134677) is a benzoxaborole (CHEBI:78240)
crisaborole (CHEBI:134677) is a nitrile (CHEBI:18379)
IUPAC Name 
4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzonitrile
INN  Source
crisaboroleKEGG DRUG
Synonyms  Source
AN 2728ChemIDplus
Crisaborole topical ointment 2%ChemIDplus
AN-2728ChemIDplus
AN2728ChEBI
Brand Name  Source
EucrisaChemIDplus
Manual XrefsDatabases
D10873KEGG DRUG
Registry NumbersSources
Reaxys:11622826Reaxys
CAS:906673-24-3KEGG DRUG
CAS:906673-24-3ChemIDplus
Citations