MOMELOTINIB

Search structure
Synonyms:
Status: Approved (2023)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 6O01GMS00P

Structure
InChI Key ZVHNDZWQTBEVRY-UHFFFAOYSA-N
Smile 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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H22N6O2
Molecular Weight 414.47
AlogP 2.98
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 103.17
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase JAK1 inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- 11-41 - - 95
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- 11-41 - - 95

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Primary Myelofibrosis 3 D055728 ClinicalTrials
Carcinoma, Pancreatic Ductal 3 D021441 ClinicalTrials
Primary Myelofibrosis 3 D055728 ClinicalTrials
Thrombocythemia, Essential 2 D013920 ClinicalTrials
Polycythemia Vera 2 D011087 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 91407
ChEMBL CHEMBL1078178
DrugBank DB11763
FDA SRS 6O01GMS00P
Guide to Pharmacology 7791
PDB C87
SureChEMBL SCHEMBL2237234
ZINC ZINC000043199890
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