LDC4297

CHEBI:144671 ·resolve ·ANTIVIRAL ·EXACT SEEDED

A pyrazolotriazine that is pyrazolo[1,5-a][1,3,5]triazine substituted by a piperidin-3-yloxy group, [2-(1H-pyrazol-1-yl)benzyl]nitrilo group and an isopropyl group at positions 2, 4 and 8 respectively. It is a potent and selective CDK7 inhibitor and exhibits antiviral activity. — 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:144709 CHEBI:144709
CHEBI:26151 CHEBI:26151
CHEBI:26410 CHEBI:26410
CHEBI:35618 CHEBI:35618
CHEBI:50995 CHEBI:50995

Chemical structure

Computed structure properties
Molecular formula	C23H28N8O
Charge	0
Average mass	432.532 Da
Monoisotopic mass	432.23861 Da
Source	ChEBI
InChIKey	LSGRZENCFIIHNV-UHFFFAOYSA-N

SMILES

CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3CCCNC3)nc12

InChI

InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)

Also called

2-(piperidin-3-yloxy)-8-(propan-2-yl)-N-[2-(1H-pyrazol-1-yl)benzyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (EXACT_SYNONYM)— chebi
2-[(piperidin-3-yl)oxy]-8-(propan-2-yl)-N-{[2-(1H-pyrazol-1-yl)phenyl]methyl}pyrazolo[1,5-a][1,3,5]triazin-4-amine (EXACT_SYNONYM)— chebi
8-(1-methylethyl)-2-(3-piperidinyloxy)-N-[[2-(1H-pyrazol-1-yl)phenyl]methyl]-pyrazolo[1,5-a]-1,3,5-triazin-4-amine (EXACT_SYNONYM)— chebi
LCD044297 (EXACT_SYNONYM)— chebi
LDC 4297 (EXACT_SYNONYM)— chebi
LDC-4297 (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:1453834-21-3

Activity roles

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

CHEBI:22587 CHEBI:22587

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:144671`	LDC4297	`antibioticmech:chebi-be0cdd8e23`	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.