lmmol · Compounds

Ilorasertib

InChIKey WPHKIQPVPYJNAX-UHFFFAOYSA-N Formula C25H21FN6O2S PubChem CID 46207586 ChEMBL CHEMBL1980297

SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12

Structure

ONNNSNNONF

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

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

Protein targets · 18 targets

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.