gilteritinib (CHEBI:145372)

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CHEBI:145372 - gilteritinib

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ChEBI ID	CHEBI:145372
ChEBI Name	gilteritinib
Stars
Definition	A member of the class of pyrazines that is pyrazine-2-carboxamide which is substituted by {3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}nitrilo, (oxan-4-yl)nitrilo and ethyl groups at positions 3,5 and 6, respectively. It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC₅₀ = 0.29 nM and 0.73 nM, respectively). Approved by the FDA for the treatment of acute myeloid leukemia in patients who have a FLT3 gene mutation.
Last Modified	14 November 2019
Submitter	Adnan
Downloads	Molfile

Formula	C29H44N8O3
Net Charge	0
Average Mass	552.724
Monoisotopic Mass	552.35364
SMILES	CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1
InChI	InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34)
InChIKey	GYQYAJJFPNQOOW-UHFFFAOYSA-N

Wikipedia

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1). apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	gilteritinib (CHEBI:145372) has role antineoplastic agent (CHEBI:35610)
	gilteritinib (CHEBI:145372) has role apoptosis inducer (CHEBI:68495)
	gilteritinib (CHEBI:145372) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
	gilteritinib (CHEBI:145372) is a N-methylpiperazine (CHEBI:46920)
	gilteritinib (CHEBI:145372) is a aromatic amine (CHEBI:33860)
	gilteritinib (CHEBI:145372) is a monomethoxybenzene (CHEBI:25235)
	gilteritinib (CHEBI:145372) is a oxanes (CHEBI:46942)
	gilteritinib (CHEBI:145372) is a piperidines (CHEBI:26151)
	gilteritinib (CHEBI:145372) is a primary carboxamide (CHEBI:140324)
	gilteritinib (CHEBI:145372) is a pyrazines (CHEBI:38314)
	gilteritinib (CHEBI:145372) is a secondary amino compound (CHEBI:50995)

IUPAC Name
6-ethyl-3-{3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino}-5-(tetrahydro-2H-pyran-4-ylamino)pyrazine-2-carboxamide

INNs	Source
gilteritinibum	WHO MedNet
gilteritinib	WHO MedNet
gilteritinib	WHO MedNet
giltéritinib	WHO MedNet

Synonyms	Source
ASP-2215	DrugBank
ASP2215	DrugBank
ASP 2215	ChemIDplus
6-ethyl-3-{3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino}-5-[(oxan-4-yl)amino]pyrazine-2-carboxamide	IUPAC
6-ethyl-3-((3-methoxy-4-(4-(4-methyl-1-piperazinyl)-1-piperidinyl)phenyl)amino)-5-((tetrahydro-2H-pyran-4-yl)amino)-2-pyrazinecarboxamide	ChemIDplus

Brand Name	Source
Xospata	ChEBI

Manual Xrefs	Databases
DB12141	DrugBank
D10709	KEGG DRUG
Gilteritinib	Wikipedia

Registry Numbers	Sources
CAS:1254053-43-4	ChemIDplus

Citations