Drug Information
| General Information | ||||||
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| Drug ID |
DR00237
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| Drug Name |
Varenicline
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| Synonyms |
7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino(2,3-h)(3)benzazepine; 7,8,9,10-tetrahydro-6h-6,10-methanoazepino[4,5-g]quinoxaline; CP 526555; Champix (TN); Chantix (TN); Varenicline (INN)
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| Drug Type |
Small molecular drug
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| Indication | Smoking cessation [ICD11:6C4A.2] | Approved | [1] | |||
| Structure |
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| 3D MOL | 2D MOL | |||||
| Formula |
C13H13N3
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| Canonical SMILES |
C1C2CNCC1C3=CC4=NC=CN=C4C=C23
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| 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+
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| InChIKey |
JQSHBVHOMNKWFT-DTORHVGOSA-N
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| CAS Number |
CAS 249296-44-4
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| Pharmaceutical Properties | Molecular Weight | 211.26 | Topological Polar Surface Area | 37.8 | ||
| Heavy Atom Count | 16 | Rotatable Bond Count | 0 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 3 | |||
| XLogP |
0.8
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| PubChem CID | ||||||
| PubChem SID | ||||||
| ChEBI ID |
CHEBI:84500
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | 1-Oct | Transporter Info | Organic cation transporter 1 | Substrate | [2] | |
| 2-Oct | Transporter Info | Organic cation transporter 2 | Substrate | [3] | ||
| Drug-Transporter Activity Data | ||||||
| Drug-Transporter Activity Data | 2-Oct | Transporter Info | Km =370 microM | Human embryonic kidney cells (HEK293)-OCT2 | [3] | |
| References | ||||||
| 1 | Varenicline was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Identification of novel substrates and structure-activity relationship of cellular uptake mediated by human organic cation transporters 1 and 2. J Med Chem. 2013 Sep 26;56(18):7232-42. | |||||
| 3 | Effect of human renal cationic transporter inhibition on the pharmacokinetics of varenicline, a new therapy for smoking cessation: an in vitro-in vivo study. Clin Pharmacol Ther. 2008 Apr;83(4):567-76. | |||||
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