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CHEBI:229680 - rezafungin

ChEBI IDCHEBI:229680
ChEBI Namerezafungin
Stars
DefinitionA member of the family of echinocandins that inhibits 1,3-β-D-glucan synthase. It is developed by Cidara Therapeutics and approved for the treatment of candidaemia and invasive candidiasis in patients aged ≥ 18 years who have limited or no alternative treatment options.
Last Modified16 April 2024
SubmitterAdnan
DownloadsMolfile
FormulaC63H85N8O17
Net Charge+1
Average Mass1226.412
Monoisotopic Mass1225.60272
SMILES[H][C@@]12C[C@@H](O)CN1C(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(=O)c1ccc(-c3ccc(-c4ccc(OCCCCC)cc4)cc3)cc1)C[C@@H](O)[C@@H](OCC[N+](C)(C)C)NC(=O)[C@]1([H])[C@@H](O)[C@@H](C)CN1C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c1ccc(O)cc1)NC2=O
InChIInChI=1S/C63H84N8O17/c1-8-9-10-28-87-45-25-21-40(22-26-45)38-13-11-37(12-14-38)39-15-17-42(18-16-39)56(80)64-46-31-48(76)61(88-29-27-71(5,6)7)68-60(84)52-53(77)34(2)32-70(52)63(86)50(36(4)73)66-59(83)51(55(79)54(78)41-19-23-43(74)24-20-41)67-58(82)47-30-44(75)33-69(47)62(85)49(35(3)72)65-57(46)81/h11-26,34-36,44,46-55,61,72-73,75-79H,8-10,27-33H2,1-7H3,(H5-,64,65,66,67,68,74,80,81,82,83,84)/p+1/t34-,35+,36+,44+,46-,47-,48+,49-,50-,51-,52-,53-,54-,55-,61+/m0/s1
InChIKeyLNFCWEXGZIEGJW-TXSVMFMRSA-O
Wikipedia
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
EC 2.4.1.34 (1,3-beta-glucan synthase) inhibitor  A EC 2.4.1.* (hexosyltransferase) inhibitor that inhibits the action of 1,3-β-glucan synthase (EC 2.4.1.34).
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Application:
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
ChEBI Ontology
Outgoing Relation(s)
rezafungin (CHEBI:229680) is a antibiotic antifungal drug (CHEBI:87113)
rezafungin (CHEBI:229680) is a aromatic ether (CHEBI:35618)
rezafungin (CHEBI:229680) is a azamacrocycle (CHEBI:52898)
rezafungin (CHEBI:229680) is a echinocandin (CHEBI:57248)
rezafungin (CHEBI:229680) is a homodetic cyclic peptide (CHEBI:24613)
rezafungin (CHEBI:229680) is a quaternary ammonium ion (CHEBI:35267)
Incoming Relation(s)
rezafungin acetate (CHEBI:230470) has part rezafungin (CHEBI:229680)
IUPAC Name 
2-{[(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,15-trihydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxo-9-({[4''-(pentyloxy)[1,1':4',1''-terphenyl]-4-yl]carbonyl}amino)tetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-12-yl]oxy}-N,N,N-trimethylethanaminium
Synonyms  Source
rezafungin cationDrugBank
CD101DrugBank
rezafungin ionDrugBank
CD-101DrugBank
SP-3025DrugBank
SP 3025ChEBI
Manual XrefsDatabases
DB16310DrugBank
D11197KEGG DRUG
RezafunginWikipedia
Registry NumbersSources
CAS:1396640-59-7DrugBank
Citations