tigozertinib (CHEBI:758752)

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CHEBI:758752 - tigozertinib

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ChEBI ID	CHEBI:758752
ChEBI Name	tigozertinib
Stars
Last Modified	30 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C28H37FN6O3S
Net Charge	0
Average Mass	556.708
Monoisotopic Mass	556.26319
SMILES	CO[C@@H]1CCN(c2nccc(Nc3cc4c(C(C)C)ccc(N5C[C@H](CS(C)(=O)=O)[C@H]5C)c4cn3)n2)C[C@@H]1F
InChI	InChI=1S/C28H37FN6O3S/c1-17(2)20-6-7-24(35-14-19(18(35)3)16-39(5,36)37)22-13-31-27(12-21(20)22)32-26-8-10-30-28(33-26)34-11-9-25(38-4)23(29)15-34/h6-8,10,12-13,17-19,23,25H,9,11,14-16H2,1-5H3,(H,30,31,32,33)/t18-,19-,23+,25-/m1/s1
InChIKey	LIMFPAAAIVQRRD-BCGVJQADSA-N

Roles Classification

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	tigozertinib (CHEBI:758752) has role antineoplastic agent (CHEBI:35610)
	tigozertinib (CHEBI:758752) is a isoquinolines (CHEBI:24922)

INN	Source
tigozertinib	WHO MedNet

Synonyms	Source
BLU-945	ChEMBL
BLU945	ChEMBL
EO2401	ChEMBL

Citations