lmmol · Compounds

Adagrasib

InChIKey PEMUGDMSUDYLHU-ZEQRLZLVSA-N Formula C32H35ClFN7O2 PubChem CID 138611145 ChEMBL CHEMBL4594350

SMILES C=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N

Structure

FONNNClNNONN

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

  • GTPase KRas P01116 · inhibitor · GTPase KRas 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.