tizaterkib   Click here for help

GtoPdb Ligand ID: 11674

Synonyms: ATG-017 | AZD-0364 | AZD0364
PDB Ligand
Compound class: Synthetic organic
Comment: Tizaterkib (AZD0364) is a potent, selective and reversible type 1 ERK1/2 inhibitor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 102.99
Molecular weight 494.2
XLogP 3.95
No. Lipinski's rules broken 0
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Canonical SMILES COC[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(c(c1)F)F)c1nc(ncc1C)Nc1ccnn1C
Isomeric SMILES Fc1cc(ccc1F)CN1C(=O)c2n(C[C@@H]1COC)cc(n2)c1nc(ncc1C)Nc1ccnn1C
InChI InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mitogen-activated protein kinase 1 Hs Inhibitor Inhibition 9.2 pIC50 - 1
pIC50 9.2 (IC50 6.6x10-10 M) [1]
Description: Inhibition in an ERK2 biochemical assay