KEGG   DRUG: D08669Help
Entry
D08669                      Drug                                   

Name
Varenicline (INN)
Formula
C13H13N3
Exact mass
211.1109
Mol weight
211.2624
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Nicotine withdrawal
Remark
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
      D08669  Varenicline (INN)
USP drug classification [BR:br08302]
 Anti-Addiction/Substance Abuse Treatment Agents
  Smoking Cessation Agents
   Varenicline
    D08669  Varenicline (INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Cys-loop superfamily
   Acetylcholine (nicotinic)
    alpha4beta2 nicotinic receptor
     Varenicline
      D08669  Varenicline (INN)
BRITE hierarchy
Other DBs
CAS: 
249296-44-4
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
KCF data Show

ATOM        16
            1   C8y C    21.3615  -14.3766
            2   C1y C    20.2443  -13.4688
            3   C1x C    18.9176  -13.8180
            4   N1x N    18.3590  -15.0748
            5   C8y C    21.3615  -15.7731
            6   C1x C    18.9176  -16.2618
            7   C1y C    20.2443  -16.5411
            8   C8x C    22.5484  -16.4015
            9   C8y C    23.7354  -15.7731
            10  C8y C    23.7354  -14.3766
            11  C8x C    22.5484  -13.6783
            12  N5x N    24.9224  -16.4015
            13  C8x C    26.1095  -15.7731
            14  C8x C    26.1095  -14.3766
            15  N5x N    24.9224  -13.6783
            16  C1x C    19.6159  -15.0050
BOND        19
            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

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