KEGG   DRUG: D06282Help
Entry
D06282                      Drug                                   

Name
Varenicline tartrate (USAN);
Chantix (TN)
Product
Formula
C13H13N3. C4H6O6
Exact mass
361.1274
Mol weight
361.3493
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Smoking cessation [selective nicotinic receptor modulator]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Target
alpha-4 beta-2 nicotinic receptor partial agonist [HSA:1137 1141] [KO:K04806 K04813]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse  
 
Metabolism
Transporter: SLC22A2 [HSA:6582]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07B DRUGS USED IN ADDICTIVE DISORDERS
    N07BA Drugs used in nicotine dependence
     N07BA03 Varenicline
      D06282  Varenicline tartrate (USAN)
USP drug classification [BR:br08302]
 Anti-Addiction/Substance Abuse Treatment Agents
  Smoking Cessation Agents
   Varenicline
    D06282  Varenicline tartrate (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 7  Agents not mainly for therapeutic purpose
  79  Other agents not mainly for therapeutic purpose
   799  Miscellaneous
    7990  Miscellaneous
     D06282  Varenicline tartrate (USAN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Cys-loop superfamily
   Acetylcholine (nicotinic)
    alpha4beta2 nicotinic receptor
     Varenicline
      D06282  Varenicline tartrate (USAN)
BRITE hierarchy
Other DBs
CAS: 
375815-87-5
PubChem: 
LigandBox: 
KCF data Show

ATOM        26
            1   C8y C     5.3200   -5.3900
            2   C1y C     4.2000   -4.4800
            3   C1x C     2.8700   -4.8300
            4   N1x N     2.2400   -6.0900
            5   C8y C     5.3200   -6.7900
            6   C1x C     2.8700   -7.3500
            7   C1y C     4.2000   -7.6300
            8   C8x C     6.5324   -7.4900
            9   C8y C     7.7449   -6.7900
            10  C8y C     7.7449   -5.3900
            11  C8x C     6.5324   -4.6900
            12  N5x N     8.9573   -7.4900
            13  C8x C    10.1697   -6.7900
            14  C8x C    10.1697   -5.3900
            15  N5x N     8.9573   -4.6900
            16  C1x C     3.5547   -6.0585
            17  O6a O    12.2731   -5.6706
            18  C6a C    13.4856   -6.3706
            19  C1c C    14.6981   -5.6706
            20  C1c C    15.9105   -6.3706
            21  C6a C    17.1231   -5.6706
            22  O6a O    18.3355   -6.3706
            23  O6a O    13.4856   -7.7705
            24  O1a O    14.6981   -4.2705
            25  O1a O    15.9105   -7.7706
            26  O6a O    17.1231   -4.2708
BOND        28
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     5   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    1  11 2
            13    9  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18    2  16 1
            19    7  16 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   18  23 2
            26   19  24 1 #Down
            27   20  25 1 #Down
            28   21  26 2

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