Molecule Details
| InChIKey | JQSHBVHOMNKWFT-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5,8,14-Triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene |
| Canonical SMILES | c1cnc2cc3c(cc2n1)C1CNCC3C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.21 |
| Source | BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01273 |
|---|---|
| Drug Name | Varenicline |
| CAS Number | 249296-44-4 |
| Groups | approved investigational |
| ATC Codes | S01XA28 N07BA03 |
| Description | Varenicline is a prescription medication used to treat smoking addiction. This medication is the first approved nicotinic receptor partial agonist. Specifically, varenicline is a partial agonist of the alpha4/beta2 subtype of the nicotinic acetylcholine receptor. In addition it acts on alpha3/beta4 ... |
Categories: Benzazepines Cholinergic Agents Cholinergic Agonists Cholinergic Receptor Agonist Drugs Used in Addictive Disorders Drugs Used in Nicotine Dependence Drugs that are Mainly Renally Excreted Heterocyclic Compounds, Fused-Ring Miscellaneous Autonomic Drugs Nervous System Neurotransmitter Agents Nicotinic Agonists OCT2 Inhibitors OCT2 Substrates Ophthalmologicals Partial Cholinergic Nicotinic Agonist Partial Cholinergic Nicotinic Agonists Quinoxalines Sensory Organs Smoking Cessation Agents
Cross-references: BindingDB: 50166908 ChEBI: 84500 CHEMBL1396 ChemSpider: 148958 Drugs Product Database (DPD): 20097 PDB: QMR PharmGKB: PA164781343 PubChem:5310966 PubChem:46505502 RxCUI: 591622 Therapeutic Targets Database: DAP001535 Wikipedia: Varenicline ZINC: ZINC000001481833
Target Activities (3)
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P36544 | CHRNA7 | Neuronal acetylcholine receptor subunit alpha-7 | agonist | targets |
| P17787 | CHRNB2 | Neuronal acetylcholine receptor subunit beta-2 | partial agonist | targets |
| P32297 | CHRNA3 | Neuronal acetylcholine receptor subunit alpha-3 | partial agonist | targets |
| P43681 | CHRNA4 | Neuronal acetylcholine receptor subunit alpha-4 | partial agonist | targets |
| Q15825 | CHRNA6 | Neuronal acetylcholine receptor subunit alpha-6 | partial agonist | targets |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | inhibitor | transporters |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | substrate | transporters |