rac5c

CHEBI:156041 ·resolve ·ANTIVIRAL ·EXACT SEEDED

A secondary carboxamide resulting from the formal condensation of the carboxy group of 1-[1-(naphthalen-1-yl)ethyl]piperidine-4-carboxylic acid with the amino group of 1-(2-methoxypyridin-4-yl)methanamine. It is a SARS-CoV-2 papain-like protease (PLpro) inhibitor. — 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:25477 CHEBI:25477
CHEBI:26421 CHEBI:26421
CHEBI:35618 CHEBI:35618
CHEBI:48592 CHEBI:48592
CHEBI:50996 CHEBI:50996

Chemical structure

Computed structure properties
Molecular formula	C25H29N3O2
Charge	0
Average mass	403.526 Da
Monoisotopic mass	403.22598 Da
Source	ChEBI
InChIKey	MMIABLSMKGWQKD-UHFFFAOYSA-N

SMILES

COc1cc(CNC(=O)C2CCN(C(C)c3cccc4ccccc34)CC2)ccn1

InChI

InChI=1S/C25H29N3O2/c1-18(22-9-5-7-20-6-3-4-8-23(20)22)28-14-11-21(12-15-28)25(29)27-17-19-10-13-26-24(16-19)30-2/h3-10,13,16,18,21H,11-12,14-15,17H2,1-2H3,(H,27,29)

Also called

N-[(2-methoxypyridin-4-yl)methyl]-1-[1-(naphthalen-1-yl)ethyl]piperidine-4-carboxamide (EXACT_SYNONYM)— chebi

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:156041`	rac5c	`antibioticmech:chebi-0e65490e7b`	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.