elbasvir

CHEBI:132967 ·resolve ·ANTIVIRAL ·EXACT SEEDED

A complex organic heterotetracyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with grazoprevir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults. — 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:23003 CHEBI:23003
CHEBI:24780 CHEBI:24780
CHEBI:36820 CHEBI:36820
CHEBI:38163 CHEBI:38163
CHEBI:46766 CHEBI:46766
CHEBI:84129 CHEBI:84129

Chemical structure

Computed structure properties
Molecular formula	C49H55N9O7
Charge	0
Average mass	882.035 Da
Monoisotopic mass	881.42245 Da
Source	ChEBI
InChIKey	BVAZQCUMNICBAQ-PZHYSIFUSA-N

SMILES

[H][C@@]1(c2ncc(-c3ccc4c(c3)O[C@@H](c3ccccc3)n3c-4cc4cc(-c5cnc([C@]6([H])CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)n5)ccc43)n2)CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C

InChI

InChI=1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,37-38,41-42,47H,10-11,14-15,20-21H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t37-,38-,41-,42-,47-/m0/s1

Also called

methyl {(2S)-1-[(2S)-2-{4-[(6S)-3-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate (EXACT_SYNONYM)— chebi
MK 8742 (EXACT_SYNONYM)— chebi
MK-8742 (EXACT_SYNONYM)— chebi
MK8742 (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:1370468-36-2
drugcentral:5080
kegg.drug:D10625
reaxys:22434581
wikipedia.en:Elbasvir

Activity roles

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

CHEBI:36044 CHEBI:36044

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:132967`	elbasvir	`antibioticmech:chebi-b14503a0a1`	2026-08-30

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.