CHEBI:91407 - momelotinib

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ChEBI Name momelotinib
ChEBI ID CHEBI:91407
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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB12130555, eMolecules:6878904
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Momelotinib, sold under the brand name Ojjaara among others, is an anticancer medication used for the treatment of myelofibrosis. It is a Janus kinase inhibitor and it is taken by mouth. The most common adverse reactions include dizziness, fatigue, bacterial infection, hemorrhage, thrombocytopenia, diarrhea, and nausea. Momelotinib was approved for medical use in the United States in September 2023, and in the European Union in January 2024.
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Formula C23H22N6O2
Net Charge 0
Average Mass 414.469
Monoisotopic Mass 414.18042
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
SMILES O=C(NCC#N)C1=CC=C(C=C1)C2=CC=NC(NC3=CC=C(C=C3)N4CCOCC4)=N2
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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).
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
anti-anaemic agent
A compound which increases either the number of red cells or the amount of haemoglobin in the blood.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
momelotinib WHO MedNet
momélotinib WHO MedNet
momelotinib WHO MedNet
momelotinibum WHO MedNet
Synonyms Sources
CYT 11387 ChEBI
CYT 387 ChEBI
CYT-11387 ChEBI
CYT-387 DrugBank
CYT387 ChemIDplus
GS-0387 LINCS
LM-1149 ChEBI
N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide ChEBI
N-(cyanomethyl)-4-(2-((4-(morpholin-4-yl)phenyl)amino)pyrimidin-4-yl)benzamide ChemIDplus
N-(cyanomethyl)-4-(2-((4-morpholinophenyl)-amino)pyrimidin-4-yl)benzamide ChEBI
N-(cyanomethyl)-4-[2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]benzamide ChEBI
Brand Name Source
Ojjaara DrugBank
Manual Xrefs Databases
C87 PDBeChem
D10315 KEGG DRUG
DB11763 DrugBank
LSM-1141 LINCS
Momelotinib Wikipedia
View more database links
Registry Number Type Source
1056634-68-4 CAS Registry Number ChemIDplus
Citations
Last Modified
16 April 2024