lmmol · Compounds

Emricasan

InChIKey SCVHJVCATBPIHN-SJCJKPOMSA-N Formula C26H27F4N3O7 PubChem CID 12000240 ChEMBL CHEMBL197672

SMILES C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F

Structure

NNNOOOOOOFFFFO

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

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

Protein targets · 12 targets

  • Caspase-4 P49662 · inhibitor · Caspase inhibitor
  • Caspase-9 P55211 · inhibitor · Caspase inhibitor
  • Caspase-3 P42574 · inhibitor · Caspase inhibitor
  • Caspase-5 P51878 · inhibitor · Caspase inhibitor
  • Caspase-6 P55212 · inhibitor · Caspase inhibitor
  • Caspase-7 P55210 · inhibitor · Caspase inhibitor
  • Caspase-8 Q14790 · inhibitor · Caspase inhibitor
  • Caspase-1 P29466 · inhibitor · Caspase inhibitor
  • Caspase-2 P42575 · inhibitor · Caspase inhibitor
  • Caspase-10 Q92851 · inhibitor · Caspase inhibitor
  • Caspase-14 P31944 · inhibitor · Caspase inhibitor
  • Inactive caspase-12 Q6UXS9 · inhibitor · Caspase 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.