momelotinib (CHEBI:91407)

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CHEBI:91407 - momelotinib

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ChEBI ID	CHEBI:91407
ChEBI Name	momelotinib
Stars
Definition	A benzamide obtained by formal condensation of the carboxy group of 4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzoic acid with the primary amino group of aminoacetonitrile. It is an ATP-competitive JAK1/JAK2 inhibitor with IC₅₀ of 11 nM and 18 nM, respectively. Used for the treatment of patients with intermediate- or high-risk myelofibrosis.
Last Modified	16 April 2024
Downloads	Molfile

Formula	C23H22N6O2
Net Charge	0
Average Mass	414.469
Monoisotopic Mass	414.18042
SMILES	N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
InChI	InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)
InChIKey	ZVHNDZWQTBEVRY-UHFFFAOYSA-N

Wikipedia

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2).
Applications:	anti-anaemic agent A compound which increases either the number of red cells or the amount of haemoglobin in the blood. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	momelotinib (CHEBI:91407) has role anti-anaemic agent (CHEBI:75835)
	momelotinib (CHEBI:91407) has role antineoplastic agent (CHEBI:35610)
	momelotinib (CHEBI:91407) has role apoptosis inducer (CHEBI:68495)
	momelotinib (CHEBI:91407) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
	momelotinib (CHEBI:91407) is a aminopyrimidine (CHEBI:38338)
	momelotinib (CHEBI:91407) is a benzamides (CHEBI:22702)
	momelotinib (CHEBI:91407) is a morpholines (CHEBI:38785)
	momelotinib (CHEBI:91407) is a nitrile (CHEBI:18379)
	momelotinib (CHEBI:91407) is a secondary amino compound (CHEBI:50995)
	momelotinib (CHEBI:91407) is a tertiary amino compound (CHEBI:50996)

IUPAC Name
N-(cyanomethyl)-4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzamide

INNs	Source
momélotinib	WHO MedNet
momelotinib	WHO MedNet
momelotinibum	WHO MedNet
momelotinib	WHO MedNet

Synonyms	Source
N-(cyanomethyl)-4-[2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]benzamide	ChEBI
N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide	ChEBI
CYT387	ChemIDplus
N-(cyanomethyl)-4-(2-((4-(morpholin-4-yl)phenyl)amino)pyrimidin-4-yl)benzamide	ChemIDplus
CYT-387	DrugBank
CYT 387	ChEBI

Brand Name	Source
Ojjaara	DrugBank

Manual Xrefs	Databases
LSM-1141	LINCS
DB11763	DrugBank
D10315	KEGG DRUG
Momelotinib	Wikipedia
C87	PDBeChem

Registry Numbers	Sources
CAS:1056634-68-4	ChemIDplus

Citations