EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:76005 - abafungin

ChEBI IDCHEBI:76005
ChEBI Nameabafungin
Stars
DefinitionA member of the class of guanidines that is tetrahydropyrimidin-2(1H)-imine in which the hydrogen of the imino group is replaced by a thiazol-2-yl group which in turn is substituted by a 2-(2,4-dimethylphenoxy)phenyl group at position 4. It has been used for the topical treatment of fungal nail infections.
Last Modified15 July 2015
Submitternamrata
DownloadsMolfile
FormulaC21H22N4OS
Net Charge0
Average Mass378.501
Monoisotopic Mass378.15143
SMILESCc1ccc(Oc2ccccc2-c2csc(N=C3NCCCN3)n2)c(C)c1
InChIInChI=1S/C21H22N4OS/c1-14-8-9-18(15(2)12-14)26-19-7-4-3-6-16(19)17-13-27-21(24-17)25-20-22-10-5-11-23-20/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,22,23,24,25)
InChIKeyTYBHXIFFPVFXQW-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
Application:
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
ChEBI Ontology
Outgoing Relation(s)
abafungin (CHEBI:76005) has role antifungal drug (CHEBI:86327)
abafungin (CHEBI:76005) is a 1,3-thiazoles (CHEBI:38418)
abafungin (CHEBI:76005) is a aromatic ether (CHEBI:35618)
abafungin (CHEBI:76005) is a guanidines (CHEBI:24436)
IUPAC Name 
N-{4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl}tetrahydropyrimidin-2(1H)-imine
INNs  Source
abafunginChemIDplus
abafungineWHO MedNet
abafunginaWHO MedNet
abafunginumWHO MedNet
Brand Name  Source
AbasolChEBI
Manual XrefsDatabases
AbafunginWikipedia
WO2009043307Patent
CN101845044Patent
CN101372486Patent
CN101396363Patent
CN1969874Patent
Registry NumbersSources
Reaxys:11337934Reaxys
CAS:129639-79-8ChemIDplus
Citations