KOM70144

CHEBI:167314 ·resolve ·ANTIVIRAL ·EXACT SEEDED

A benzamide that is GRL-0617 in which one of the hydrogen's of the primary amino group is replaced by an acetyl group. It an inhibitor of SARS-CoV and SARS-CoV-2 papain-like protease (PLpro) with an IC50 of 2.6 μM and 5.0 μM, respectively. It also inhibits SARS-CoV and SARS-CoV-2 infection of Vero E6 cells in vitro (EC50 values are 13.1 and 21 μM, respectively). — 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:140325 CHEBI:140325
CHEBI:22160 CHEBI:22160
CHEBI:22702 CHEBI:22702
CHEBI:25477 CHEBI:25477

Chemical structure

Computed structure properties
Molecular formula	C22H22N2O2
Charge	0
Average mass	346.43 Da
Monoisotopic mass	346.16813 Da
Source	ChEBI
InChIKey	KGPYBLOBHQLIET-OAHLLOKOSA-N

SMILES

CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2cccc3ccccc23)c1

InChI

InChI=1S/C22H22N2O2/c1-14-11-12-18(24-16(3)25)13-21(14)22(26)23-15(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-13,15H,1-3H3,(H,23,26)(H,24,25)/t15-/m1/s1

Also called

5-acetamido-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide (EXACT_SYNONYM)— chebi
(R)-5-acetamido-2-methyl-N-(1-(naphthalen-1-yl)ethyl)benzamide (EXACT_SYNONYM)— chebi
5-(acetylamino)-2-methyl-N-[(1R)-1-(1-naphthalenyl)ethyl]benzamide (EXACT_SYNONYM)— chebi
5-N-acetylamino-2-methyl-N-[(R)-1-(1-naphthyl)ethyl]benzamide (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:1093070-14-4

Activity roles

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

CHEBI:149553 CHEBI:149553

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:167314`	KOM70144	`antibioticmech:chebi-88fad56b86`	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.