dabrafenib

CHEBI:75045 ·resolve ·ANTIVIRAL ·EXACT SEEDED

An organofluorine compound and antineoplastic agent, used as its mesylate salt in treatment of metastatic melanoma. — 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:35358 CHEBI:35358
CHEBI:37143 CHEBI:37143
CHEBI:38338 CHEBI:38338
CHEBI:38418 CHEBI:38418

Chemical structure

Computed structure properties
Molecular formula	C23H20F3N5O2S2
Charge	0
Average mass	519.574 Da
Monoisotopic mass	519.10105 Da
Source	ChEBI
InChIKey	BFSMGDJOXZAERB-UHFFFAOYSA-N

SMILES

CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1

InChI

InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)

Also called

N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:1195765-45-7
drugcentral:4801
kegg.drug:D10064
lincs.smallmolecule:LSM-6303
patent:WO2011047238
reaxys:19689971
wikipedia.en:Dabrafenib

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:75045`	dabrafenib	`antibioticmech:chebi-a6dcc705ed`	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.