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
1. Flemington V, Davies EJ, Robinson D, Sandin LC, Delpuech O, Zhang P, Hanson L, Farrington P, Bell S, Falenta K et al.. (2021)
AZD0364 Is a Potent and Selective ERK1/2 Inhibitor That Enhances Antitumor Activity in KRAS-Mutant Tumor Models when Combined with the MEK Inhibitor, Selumetinib.
Mol Cancer Ther, 20 (2): 238-249. [PMID:33273059]