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varenicline
| 别名 | CP 526555, Champix®, Chantix®, compound 9a [PMID: 16171993] |
|---|---|
| Compound Class | Synthetic organic |
| 变动原因 | Marketed formulations usually contain varenicline tartrate (PubChem CID 9906942). ChEMBL represents this compound without specified stereochemistry (see link above). |
| Related Product | 伐伦克林 |
Summary
| 是否批准为药物？ | (FDA and EMA (2006)) |
|---|---|
| IUPAC Name | (1R,12S)-5,8,14-triazatetracyclo[10.3.1.0^{2,11}.0^{4,9}]hexadeca-2(11),3,5,7,9-pentaene |
| 别名 | CP 526555, Champix®, Chantix®, compound 9a [PMID: 16171993] |
数据库链接
| Wikipedia | Varenicline |
|---|---|
| DrugBank Ligand | DB01273 |
| CAS Registry No. | 249296-44-4 |
| PubChem CID | 5310966 |
| ChEMBL Ligand | CHEMBL1396 |
| ChEBI | CHEBI:84500 |
| RCSB PDB Ligand | QMR |
| PEP | varenicline |
| DrugCentral Ligand | 2808 |
生物活性
| 生物活性评价 |
The sulfonamide class of antibacterial compounds are primarily bacteriostatic agents and have a broad spectrum of activity against both Gram-positive and Gram-negative species of bacteria (reviewed in |
|---|---|
| 关联靶标 | nicotinic acetylcholine receptor α4 subunit , nicotinic acetylcholine receptor α4 subunit , nicotinic acetylcholine receptor α3 subunit |
临床资料
| Summary of Clinical Use | Used as an aid to smoking cessation. |
|---|---|
| 作用机制与药效学效应 | Inhibits the binding of nicotine to the α4β2 nicotinic acetylcholine receptor, and exerts mild agonistic activity at the receptor, therefore easing nicotine withdrawal symptoms. |
结构
| Canonical SMILES | N1CC2CC(C1)c1c2cc2c(c1)nccn2 |
|---|---|
| Isomeric SMILES | N1C[C@@H]2C[C@H](C1)c1c2cc2c(c1)nccn2 |
| InChI | InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+ |
| InChI key | JQSHBVHOMNKWFT-DTORHVGOSA-N |
危险品化学品经营许可证（带存储）