momelotinib   Click here for help

GtoPdb Ligand ID: 7791

Synonyms: CYT-387 | CYT387 | GS-0387 | GS0387 | Ojjaara®
Approved drug PDB Ligand
momelotinib is an approved drug (FDA (2023))
Compound class: Synthetic organic
Comment: Momelotinib (a.k.a. CYT387 and GS0387) is an investigational, oral, ATP-competitive Janus kinase inhibitor [3]. Momelotinib also inhibits the bone morphogenetic protein kinase ACVR1 (activin A receptor type 1, ALK2), a mechanism that improves iron homeostasis and erythropoiesis via down-regulation of hepcidin [1], and which may provide benefit in anaemia in myelofibrosis [5].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 103.17
Molecular weight 414.18
XLogP 2.52
No. Lipinski's rules broken 0
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Canonical SMILES N#CCNC(=O)c1ccc(cc1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1
Isomeric SMILES N#CCNC(=O)c1ccc(cc1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1
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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2023))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9480 momelotinib
Synonyms Click here for help
CYT-387 | CYT387 | GS-0387 | GS0387 | Ojjaara®
Database Links Click here for help
CAS Registry No. 1056634-68-4
ChEMBL Ligand CHEMBL1078178
GtoPdb PubChem SID 223366122
PubChem CID 25062766
RCSB PDB Ligand C87
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UniChem Compound Search for chemical match using the InChIKey ZVHNDZWQTBEVRY-UHFFFAOYSA-N
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Wikipedia CYT387