CHEBI:91407 - momelotinib

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
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 Waiting for Citations Types Sources
19762238 PubMed citation Europe PMC
21079613 PubMed citation Europe PMC
23459451 PubMed citation Europe PMC
25322686 PubMed citation Europe PMC
25511866 PubMed citation Europe PMC
27634203 PubMed citation Europe PMC
27785927 PubMed citation Europe PMC
28622623 PubMed citation Europe PMC
28930494 PubMed citation Europe PMC
28960447 PubMed citation Europe PMC
29024542 PubMed citation Europe PMC
29263442 PubMed citation Europe PMC
29275119 PubMed citation Europe PMC
29283448 PubMed citation Europe PMC
29311136 PubMed citation Europe PMC
29515114 PubMed citation Europe PMC
30087028 PubMed citation Europe PMC
30105668 PubMed citation Europe PMC
31450973 PubMed citation Europe PMC
31560729 PubMed citation Europe PMC
32394008 PubMed citation Europe PMC
34704880 PubMed citation Europe PMC
34768286 PubMed citation Europe PMC
35045875 PubMed citation Europe PMC
35255234 PubMed citation Europe PMC
35345816 PubMed citation Europe PMC
35413417 PubMed citation Europe PMC
35603634 PubMed citation Europe PMC
35869266 PubMed citation Europe PMC
36349465 PubMed citation Europe PMC
36599841 PubMed citation Europe PMC
36709073 PubMed citation Europe PMC
36861402 PubMed citation Europe PMC
37021939 PubMed citation Europe PMC
37039727 PubMed citation Europe PMC
37042865 PubMed citation Europe PMC
37517413 PubMed citation Europe PMC
37901848 PubMed citation Europe PMC
37908862 PubMed citation Europe PMC
37989928 PubMed citation Europe PMC
38164985 PubMed citation Europe PMC
38201581 PubMed citation Europe PMC
38311180 PubMed citation Europe PMC
38406514 PubMed citation Europe PMC
38501751 PubMed citation Europe PMC
PMC10431522 PubMed Central citation Europe PMC
Last Modified
16 April 2024