CHEBI:85977 - isavuconazonium sulfate

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ChEBI Name isavuconazonium sulfate
ChEBI ID CHEBI:85977
Definition An azaheterocycle sulfate salt that is a prodrug for isavuconazole, an antifungal agent used for the treatment of invasive aspergillosis and invasive mucormycosis.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C35H36F2N8O9S2
Net Charge 0
Average Mass 814.83500
Monoisotopic Mass 814.201
InChI InChI=1S/C35H35F2N8O5S.H2O4S/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3;1-5(2,3)4/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1/t22-,23?,35+;/m0./s1
InChIKey LWXUIUUOMSMZKJ-KLFWAVJMSA-M
SMILES OS([O-])(=O)=O.CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)[n+]1cnn(C[C@@](O)([C@@H](C)c2nc(cs2)-c2ccc(cc2)C#N)c2cc(F)ccc2F)c1
Roles Classification
Biological Role(s): ergosterol biosynthesis inhibitor
Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol.
(via conazole antifungal agent )
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of EC 1.14.13.70 (sterol 14alpha-demethylase).
antifungal drug
Any antifungal agent used to prevent or treat fungal infections in humans or animals.
(via triazole antifungal drug )
(via conazole antifungal drug )
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
(via triazole antifungal agent )
(via conazole antifungal agent )
Application(s): prodrug
A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
orphan drug
Any drug that has been developed specifically for treatment of a rare medical condition, the condition itself being known as an orphan disease.
antifungal drug
Any antifungal agent used to prevent or treat fungal infections in humans or animals.
(via triazole antifungal drug )
(via conazole antifungal drug )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isavuconazonium sulfate (CHEBI:85977) has part isavuconazonium (CHEBI:85978)
isavuconazonium sulfate (CHEBI:85977) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884)
isavuconazonium sulfate (CHEBI:85977) has role ergosterol biosynthesis inhibitor (CHEBI:75282)
isavuconazonium sulfate (CHEBI:85977) has role orphan drug (CHEBI:71031)
isavuconazonium sulfate (CHEBI:85977) has role prodrug (CHEBI:50266)
isavuconazonium sulfate (CHEBI:85977) is a azaheterocycle sulfate salt (CHEBI:38017)
isavuconazonium sulfate (CHEBI:85977) is a conazole antifungal drug (CHEBI:87071)
isavuconazonium sulfate (CHEBI:85977) is a triazole antifungal drug (CHEBI:87101)
IUPAC Name
(2-{[(1-{1-[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1H-1,2,4-triazol-4-ium-4-yl}ethoxy)carbonyl](methyl)amino}pyridin-3-yl)methyl N-methylglycinate hydrogen sulfate
Synonym Source
BAL-8557-002 ChemIDplus
Brand Name Source
Cresemba ChEBI
Manual Xref Database
Isavuconazole Wikipedia
View more database links
Registry Number Type Source
946075-13-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
24100500 PubMed citation Europe PMC
24492363 PubMed citation Europe PMC
25488140 PubMed citation Europe PMC
25561337 PubMed citation Europe PMC
25753636 PubMed citation Europe PMC
25825173 PubMed citation Europe PMC
25902926 PubMed citation Europe PMC
Last Modified
23 July 2015