omipalisib

CHEBI:95093 ·resolve ·ANTIVIRAL ·EXACT SEEDED

A member of the class of quinolines that is quinoline which is substituted by pyridazin-4-yl and 5-[(2,4-difluorobenzene-1-sulfonyl)amino]-6-methoxypyridin-3-yl groups at positions 4 and 6, respectively. It is a highly potent inhibitor of PI3K and mTOR developed by GlaxoSmithKline and was previously in human phase 1 clinical trials for the treatment of idiopathic pulmonary fibrosis and solid tumors. — 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:26421 CHEBI:26421
CHEBI:26513 CHEBI:26513
CHEBI:35358 CHEBI:35358
CHEBI:35618 CHEBI:35618
CHEBI:37921 CHEBI:37921
CHEBI:38582 CHEBI:38582

Chemical structure

Computed structure properties
Molecular formula	C25H17F2N5O3S
Charge	0
Average mass	505.506 Da
Monoisotopic mass	505.10202 Da
Source	ChEBI
InChIKey	CGBJSGAELGCMKE-UHFFFAOYSA-N

SMILES

COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

InChI

InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3

Also called

omipalisibum (INN)— chebi
2,4-difluoro-N-{2-methoxy-5-[4-(pyridazin-4-yl)quinolin-6-yl]pyridin-3-yl}benzenesulfonamide (EXACT_SYNONYM)— chebi
2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide (EXACT_SYNONYM)— chebi
2,4-difluoro-N-[2-methoxy-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl]benzenesulfonamide (EXACT_SYNONYM)— chebi
2,4-difluoro-N-{2-methoxy-5-[4-(pyridazin-4-yl)quinolin-6-yl]pyridin-3-yl}benzene-1-sulfonamide (EXACT_SYNONYM)— chebi
GSK 212 (EXACT_SYNONYM)— chebi
GSK 2126458 (EXACT_SYNONYM)— chebi
GSK 458 (EXACT_SYNONYM)— chebi
GSK-212 (EXACT_SYNONYM)— chebi
GSK-2126458 (EXACT_SYNONYM)— chebi
GSK-458 (EXACT_SYNONYM)— chebi
GSK212 (EXACT_SYNONYM)— chebi
GSK2126458 (EXACT_SYNONYM)— chebi
GSK458 (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:1086062-66-9
chemspider:25027388
drugbank:DB12703
kegg.drug:D10718
pdb-ccd:ZIG

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:95093`	omipalisib	`antibioticmech:chebi-6a527883a6`	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.