rezafungin

CHEBI:229680 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A 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. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:24613 CHEBI:24613
CHEBI:35267 CHEBI:35267
CHEBI:35618 CHEBI:35618
CHEBI:52898 CHEBI:52898
CHEBI:57248 CHEBI:57248
CHEBI:87113 CHEBI:87113

Chemical structure

Computed structure properties
Molecular formula	C63H85N8O17
Charge	1
Average mass	1226.412 Da
Monoisotopic mass	1225.60272 Da
Source	ChEBI
InChIKey	LNFCWEXGZIEGJW-TXSVMFMRSA-O

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

InChI

InChI=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

Also called

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 (EXACT_SYNONYM)— chebi
CD-101 (EXACT_SYNONYM)— chebi
CD101 (EXACT_SYNONYM)— chebi
SP 3025 (EXACT_SYNONYM)— chebi
SP-3025 (EXACT_SYNONYM)— chebi
biafungin (EXACT_SYNONYM)— chebi
rezafungin cation (EXACT_SYNONYM)— chebi
rezafungin ion (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:35718 CHEBI:35718
CHEBI:86327 CHEBI:86327

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:229680`	rezafungin	`antibioticmech:chebi-7fd2989d7c`	2026-08-30

Mechanism summary

Mode of action: CELL_WALL_SYNTHESIS_INHIBITION microbial target — Assigned from ChEBI role CHEBI:230471 (EC 2.4.1.34 (1,3-β-glucan synthase) inhibitor). ChEBI asserts the role on the compound. The role names a target specific to the microbe or virus — see mode_of_action_target_scope. Not a curator's mechanistic review.

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.