Simotinib

InChIKey OXWUWXCJDBRCCG-UHFFFAOYSA-N Formula C25H26ClFN4O4 PubChem CID 16735117 ChEMBL CHEMBL3545235

SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2(CC2)C2(C1)OCCO2

Structure

2D skeletal formula · rendered by chemkit from PubChem 2D coordinates.

Pseudo-3D ball-and-stick · chemkit, from PubChem 3D conformer coordinates.

Protein targets · 1 target

Epidermal growth factor receptor P00533 · inhibitor · Epidermal growth factor receptor erbB1 inhibitor

Each resolved target links to its lmmol protein document; action and mechanism are from the bioactivity record.

A document in the lmmol reference corpus — a real compound (PubChem / ChEMBL identity, chemkit-rendered structure) cross-linked to the protein documents it targets. Hover any link to preview its target.