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
SMILES / InChI / InChIKey
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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)
InChI Key DGLFSNZWRYADFC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
example 240 [WO2009158011A1] | inhibitor 3 [PMID: 33944571]
Database Links Click here for help
BindingDB Ligand 50429615
ChEMBL Ligand CHEMBL2334586
GtoPdb PubChem SID 472319308
PubChem CID 58221549
RCSB PDB Ligand VP7
Search Google for chemical match using the InChIKey DGLFSNZWRYADFC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DGLFSNZWRYADFC
UniChem Compound Search for chemical match using the InChIKey DGLFSNZWRYADFC-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DGLFSNZWRYADFC-UHFFFAOYSA-N