lmmol · Compounds

Alisertib

InChIKey ZLHFILGSQDJULK-UHFFFAOYSA-N Formula C27H20ClFN4O4 PubChem CID 24771867 ChEMBL CHEMBL483158

SMILES COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O

Structure

OClNNNNOFOO

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

  • Aurora kinase A O14965 · inhibitor · Serine/threonine-protein kinase Aurora-A 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.