CHEBI:76005 - abafungin

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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 used for the topical treatment of fungal nail infections.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:477143, ZINC000001867127
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Formula C21H22N4OS
Net Charge 0
Average Mass 378.49100
Monoisotopic Mass 378.15143
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 drug
Any antifungal agent used to prevent or treat fungal infections in humans or animals.
Application(s): antifungal drug
Any antifungal agent used to prevent or treat fungal infections in humans or animals.
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ChEBI Ontology
Outgoing 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 Sources
abafungin ChemIDplus
abafungina WHO MedNet
abafungine WHO MedNet
abafunginum WHO MedNet
Brand Name Source
Abasol ChEBI
Manual Xrefs Databases
Abafungin Wikipedia
CN101372486 Patent
CN101396363 Patent
CN101845044 Patent
CN1969874 Patent
WO2009043307 Patent
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Registry Numbers Types Sources
11337934 Reaxys Registry Number Reaxys
129639-79-8 CAS Registry Number ChemIDplus
Citations
Last Modified
15 July 2015