quisinostat

CHEBI:94771 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

A member of the class of methylindoles that is 1H-indole substituted by methyl and [({1-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperidin-4-yl}methyl)amino]methyl groups at positions 1 and 3, respectively. It is an orally bioavailable pan-HDAC inhibitor that exhibits antineoplastic 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:24650 CHEBI:24650
CHEBI:26151 CHEBI:26151
CHEBI:38460 CHEBI:38460
CHEBI:39447 CHEBI:39447
CHEBI:50995 CHEBI:50995

Chemical structure

Computed structure properties
Molecular formula	C21H26N6O2
Charge	0
Average mass	394.479 Da
Monoisotopic mass	394.21172 Da
Source	ChEBI
InChIKey	PAWIYAYFNXQGAP-UHFFFAOYSA-N

SMILES

Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21

InChI

InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)

Also called

quisinostatum (INN)— chebi
N-hydroxy-2-[4-({[(1-methyl-1H-indol-3-yl)methyl]amino}methyl)piperidin-1-yl]pyrimidine-5-carboxamide (EXACT_SYNONYM)— chebi
JNJ 26481585 (EXACT_SYNONYM)— chebi
JNJ-26481585 (EXACT_SYNONYM)— chebi
JNJ26481585 (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:875320-29-9
drugbank:DB12985
kegg.drug:D10321
lincs.smallmolecule:LSM-5900
pdb-ccd:GOK
wikipedia.en:Quisinostat

Activity roles

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

CHEBI:38068 CHEBI:38068

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:94771`	quisinostat	`antibioticmech:chebi-fcee52c183`	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.