Aprepitant
SMILES C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
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
- Substance-P receptor P25103 · antagonist · Neurokinin 1 receptor antagonist
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.