Simpinicline
SMILES C(=C/[C@H]1CCNC1)\c1cncnc1
Structure
2D skeletal formula · rendered by chemkit from PubChem 2D coordinates.
Pseudo-3D ball-and-stick · chemkit, from PubChem 3D conformer coordinates.
Protein targets · 4 targets
- Neuronal acetylcholine receptor subunit beta-2 P17787 · agonist · Neuronal acetylcholine receptor; alpha4/beta2 agonist
- Neuronal acetylcholine receptor subunit alpha-4 P43681 · agonist · Neuronal acetylcholine receptor; alpha4/beta2 agonist
- Neuronal acetylcholine receptor subunit beta-4 P30926 · agonist · Neuronal acetylcholine receptor; alpha3/beta4 agonist
- Neuronal acetylcholine receptor subunit alpha-3 P32297 · agonist · Neuronal acetylcholine receptor; alpha3/beta4 agonist
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.