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abafungin (CHEBI:76005)

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ChEBI Name abafungin
ChEBI ID CHEBI:76005
Definition A 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 shown to exhibit antifungal activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula Source
C21H22N4OS ChEBI
Net Charge 0
Average Mass 378.49100
InChI
InChI=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)
InChIKey
TYBHXIFFPVFXQW-UHFFFAOYSA-N
SMILES
Cc1ccc(Oc2ccccc2-c2csc(N=C3NCCCN3)n2)c(C)c1
Roles Classification
Biological Role(s): antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. Antifungal agents differ from industrial fungicides in that they defend against fungi present in human or animal tissues.
Application(s): antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. Antifungal agents differ from industrial fungicides in that they defend against fungi present in human or animal tissues.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing abafungin (CHEBI:76005) has role antifungal agent (CHEBI:35718)
abafungin (CHEBI:76005) is a 1,3-thiazole (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 Sources
abafungin ChemIDplus
abafungina WHO MedNet
abafungine WHO MedNet
abafunginum WHO MedNet
Database Links Databases
Abafungin Wikipedia
CN101372486 Patent
CN101396363 Patent
CN101845044 Patent
CN1969874 Patent
WO2009043307 Patent
View more database links
Registry Numbers Types Sources
11337934 Reaxys Registry Number Reaxys
129639-79-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
18587237 PubMed citation CiteXplore
20383346 PubMed citation CiteXplore
Last Modified
24 October 2013

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