AMG28   Click here for help

GtoPdb Ligand ID: 12186

Synonyms: example 240 [WO2009158011A1] | inhibitor 3 [PMID: 33944571]
PDB Ligand
Compound class: Synthetic organic
Comment: AMG28 is a small molecule multi-kinase inhibitor, with activity against NF-κB inducing kinase (NIK; MAP3K14), Tau tubulin kinase 1 (TTBK1), and the lipid modifying phosphoinositide kinase, FYVE-type zinc finger containing (PIKFYVE), amongst others [3]. It is one of the kinase inhibitors claimed in Amgen patent WO2009158011A1 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 0
Topological polar surface area 87.82
Molecular weight 332.16
XLogP 2.81
No. Lipinski's rules broken 0
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Canonical SMILES Nc1ncc2c(n1)c1c(CCC2)[nH]c2c1cc(C#CC(O)(C)C)cc2
Isomeric SMILES CC(C)(C#Cc1cc2c(cc1)[nH]c1c2c2c(CCC1)cnc(n2)N)O
InChI InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24)
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Molecular structure representations generated using Open Babel