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CHEBI:91407 - momelotinib

Default Structure
ChEBI IDCHEBI:91407
ChEBI Namemomelotinib
Stars
DefinitionA 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 Modified16 April 2024
DownloadsMolfile
FormulaC23H22N6O2
Net Charge0
Average Mass414.469
Monoisotopic Mass414.18042
SMILESN#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
InChIInChI=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)
InChIKeyZVHNDZWQTBEVRY-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:
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.
antifibrotic agent  Any agent which acts to reduce fibrosis.
ChEBI Ontology
Outgoing Relation(s)
momelotinib (CHEBI:91407) has role anti-anaemic agent (CHEBI:75835)
momelotinib (CHEBI:91407) has role antifibrotic agent (CHEBI:233423)
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
momelotinibWHO MedNet
momelotinibWHO MedNet
momélotinibWHO MedNet
momelotinibumWHO MedNet
Synonyms  Source
CYT-0387ChEMBL
CYT 11387ChEBI
CYT-11387ChEBI
CYT 387ChEBI
CYT-387DrugBank
CYT387ChemIDplus
Brand Name  Source
OjjaaraDrugBank
Manual XrefsDatabases
C87PDBeChem
D10315KEGG DRUG
DB11763DrugBank
LSM-1141LINCS
MomelotinibWikipedia
Registry NumbersSources
CAS:1056634-68-4ChemIDplus
Citations