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CHEBI:757577 - ibrexafungerp citrate

Default Structure
ChEBI IDCHEBI:757577
ChEBI Nameibrexafungerp citrate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC6H8O7.C44H67N5O4
Net Charge0
Average Mass922.174
Monoisotopic Mass921.54631
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[H][C@@]12CC[C@@]3([H])C(=CC[C@@]4(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]34C)[C@]13COC[C@@]2(C)[C@@H](OC[C@](C)(N)C(C)(C)C)[C@H](n1ncnc1-c1ccncc1)C3
InChIInChI=1S/C44H67N5O4.C6H8O7/c1-27(2)28(3)39(7)18-19-41(9)30-12-13-33-40(8)23-52-25-44(33,31(30)14-17-42(41,10)34(39)37(50)51)22-32(35(40)53-24-43(11,45)38(4,5)6)49-36(47-26-48-49)29-15-20-46-21-16-29;7-3(8)1-6(13,5(11)12)2-4(9)10/h14-16,20-21,26-28,30,32-35H,12-13,17-19,22-25,45H2,1-11H3,(H,50,51);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t28-,30+,32-,33+,34-,35+,39-,40-,41-,42+,43+,44+;/m1./s1
InChIKeyWKIRTJACGBEXBZ-FQGZCCSZSA-N
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)
ibrexafungerp citrate (CHEBI:757577) has role antifungal drug (CHEBI:86327)
ibrexafungerp citrate (CHEBI:757577) is a hydroxy steroid (CHEBI:35350)
Synonyms  Source
Ibrexafungerp citrateChEMBL
SCY-078 citrateChEMBL
Brand Name  Source
BrexafemmeChEMBL