milrebrutinib (CHEBI:758600)

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CHEBI:758600 - milrebrutinib

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ChEBI ID	CHEBI:758600
ChEBI Name	milrebrutinib
Stars
Last Modified	30 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C33H31FN6O3
Net Charge	0
Average Mass	578.648
Monoisotopic Mass	578.24417
SMILES	Nc1nc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)c2cc(C3=CCN(C4COC4)CC3)nc2n1
InChI	InChI=1S/C33H31FN6O3/c34-26-13-21(18-4-5-18)12-20-8-11-40(32(42)29(20)26)28-3-1-2-23(25(28)15-41)30-24-14-27(36-31(24)38-33(35)37-30)19-6-9-39(10-7-19)22-16-43-17-22/h1-3,6,8,11-14,18,22,41H,4-5,7,9-10,15-17H2,(H3,35,36,37,38)
InChIKey	LJODJUIHONTDMR-UHFFFAOYSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	milrebrutinib (CHEBI:758600) has role antineoplastic agent (CHEBI:35610)
	milrebrutinib (CHEBI:758600) is a isoquinolines (CHEBI:24922)

INNs	Source
docirbrutinib	WHO MedNet
milrebrutinib	WHO MedNet

Citations