Molecule Details
| InChIKey | ANJTVLIZGCUXLD-DTWKUNHWSA-N |
|---|---|
| Compound Name | Cytisine |
| Canonical SMILES | O=c1cccc2n1C[C@@H]1CNC[C@H]2C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.06 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB09028 |
|---|---|
| Drug Name | Cytisine |
| CAS Number | 485-35-8 |
| Groups | investigational |
| ATC Codes | N07BA04 |
| Description | Cytisine is an alkaloid naturally derived from the Fabaceae family of plants including the genera Laburnum and Cytisus. Recent studies have shown it to be a more effective and significantly more affordable smoking cessation treatment than nicotine replacement therapy. Also known as baptitoxine or so... |
Categories: Alkaloids Drugs Used in Addictive Disorders Drugs Used in Nicotine Dependence Heterocyclic Compounds, Fused-Ring Nervous System Nicotine, antagonists & inhibitors Quinolizidines Quinolizines
Cross-references: BindingDB: 50143282 ChEBI: 4055 CHEMBL497939 ChemSpider: 9818 C10763 D07770 PDB: C5E PubChem:10235 PubChem:310264982 RxCUI: 1723152 Wikipedia: Cytisine ZINC: ZINC000001599730
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43681 | CHRNA4 | Homo sapiens | Human | PF02931 PF02932 | 9.6 | Ki | ChEMBL;BindingDB |
| P17787 | CHRNB2 | Homo sapiens | Human | PF02931 PF02932 | 8.9 | Ki | ChEMBL |
| P02708 | CHRNA1 | Homo sapiens | Human | PF02931 PF02932 | 6.6 | Ki | ChEMBL |
| P07510 | CHRNG | Homo sapiens | Human | PF02931 PF02932 | 6.6 | Ki | ChEMBL |
| P11230 | CHRNB1 | Homo sapiens | Human | PF02931 PF02932 | 6.6 | Ki | ChEMBL |
| Q07001 | CHRND | Homo sapiens | Human | PF02931 PF02932 | 6.6 | Ki | ChEMBL |
| P30926 | CHRNB4 | Homo sapiens | Human | PF02931 PF02932 | 6.3 | Ki | ChEMBL |
| P32297 | CHRNA3 | Homo sapiens | Human | PF02931 PF02932 | 6.3 | Ki | ChEMBL |
| P36544 | CHRNA7 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | Ki | ChEMBL |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P32297 | CHRNA3 | Neuronal acetylcholine receptor subunit alpha-3 | agonist | targets |
| P36544 | CHRNA7 | Neuronal acetylcholine receptor subunit alpha-7 | agonist | targets |
| P43681 | CHRNA4 | Neuronal acetylcholine receptor subunit alpha-4 | agonist | targets |
| Q15825 | CHRNA6 | Neuronal acetylcholine receptor subunit alpha-6 | agonist | targets |
| P30926 | CHRNB4 | Neuronal acetylcholine receptor subunit beta-4 | inhibitor | targets |
| Q15822 | CHRNA2 | Neuronal acetylcholine receptor subunit alpha-2 | inhibitor | targets |
| P17787 | CHRNB2 | Neuronal acetylcholine receptor subunit beta-2 | partial agonist | targets |