ilginatinib   Click here for help

GtoPdb Ligand ID: 7839

Synonyms: NS-018 | NS018
Compound class: Synthetic organic
Comment: Ilginatinib (NS-018) is a potent and highly selective JAK2 inhibitor. It has an ATP-competitive mode of action. The chemical structure shown here was rendered from the chemical name provided in [1]. The inhibits some Src family kinases in addition to JAK2 [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 80.55
Molecular weight 389.18
XLogP 4.14
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)C(Nc1nc(Nc2cnccn2)cc(c1)c1cnn(c1)C)C
Isomeric SMILES Fc1ccc(cc1)[C@@H](Nc1nc(Nc2cnccn2)cc(c1)c1cnn(c1)C)C
InChI InChI=1S/C21H20FN7/c1-14(15-3-5-18(22)6-4-15)26-19-9-16(17-11-25-29(2)13-17)10-20(27-19)28-21-12-23-7-8-24-21/h3-14H,1-2H3,(H2,24,26,27,28)/t14-/m0/s1
InChI Key UQTPDWDAYHAZNT-AWEZNQCLSA-N
No information available.
Summary of Clinical Use Click here for help
Ilginatinib (NS-018) was advanced as a clinical lead.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT01423851 Safety and Tolerability Study of Oral NS-018 in Patients With Primary Myelofibrosis (MF), Post-polycythemia Vera MF or Post-essential Thrombocythemia MF Phase 1/Phase 2 Interventional NS Pharma, Inc. Results from the Phase 1 portion of this trial were published in 2017. Significant reduction in palpable spleen size and improvements in myelofibrosis-associated symptoms were observed. 3
NCT04854096 Study to Assess Efficacy and Safety of NS-018 Compared to BAT in Patients With Myelofibrosis Phase 2 Interventional NS Pharma, Inc. 3