acyclovir

CHEBI:2453 ·resolve ·ANTIVIRAL ·EXACT SEEDED

An oxopurine that is guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9. Used in the treatment of viral infections. — 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:20702 CHEBI:20702
CHEBI:25810 CHEBI:25810

Chemical structure

Computed structure properties
Molecular formula	C8H11N5O3
Charge	0
Average mass	225.208 Da
Monoisotopic mass	225.08619 Da
Source	ChEBI
InChIKey	MKUXAQIIEYXACX-UHFFFAOYSA-N

SMILES

Nc1nc(=O)c2ncn(COCCO)c2n1

InChI

InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)

Also called

Zovir (BRAND_NAME)— chebi
aciclovir (INN)— chebi
aciclovirum (INN)— chebi
2-amino-9-[(2-hydroxyethoxy)methyl]-1,9-dihydro-6H-purin-6-one (EXACT_SYNONYM)— chebi
acycloguanosine (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:59277-89-3
drugbank:DB00787
drugcentral:85
hmdb:HMDB0014925
kegg.compound:C06810
kegg.drug:D00222
lincs.smallmolecule:LSM-5459
patent:DE2539963
patent:US4199574
pdb-ccd:AC2
reaxys:1219402
wikipedia.en:Acyclovir

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:2453`	acyclovir	`antibioticmech:chebi-8aeb691cc5`	2026-08-30

Mechanism summary

Clinical status: APPROVED

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
RESEEDED_FROM_SOURCES 2026-08-31 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-31 · 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.