lmmol · Compounds

Brepocitinib

InChIKey BUWBRTXGQRBBHG-MJBXVCDLSA-N Formula C18H21F2N7O PubChem CID 118878093 ChEMBL CHEMBL4297477

SMILES Cn1cc(Nc2nccc(N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]3CC3(F)F)n2)cn1

Structure

NNNNNNNOFF

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

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

Protein targets · 2 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.