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.

Label unavailable CHEBI:26421
Label unavailable CHEBI:26513
Label unavailable CHEBI:35358
Label unavailable CHEBI:35618
Label unavailable CHEBI:37921
Label unavailable 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

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

Drug registries

Identifiers that name a drug rather than a structure. One of these can cover a parent compound, its salts and its stereoisomers, which this corpus keeps as separate records, so it is not an equivalence of structure.

Activity roles

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

anticoronaviral agent 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
RESEEDED_FROM_SOURCES 2026-09-10 · 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 (YAML).

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