KEGG   DRUG: VareniclineHelp
Entry
D08669                      Drug                                   

Name
Varenicline (INN)
Formula
C13H13N3
Exact mass
211.1109
Mol weight
211.2624
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Neuropsychiatric agent
 DG01571  Nicotinic cholinergic receptor partial agonist
Other
 DG01718  Drugs for addictive disorder
  DG01715  Drugs for nicotine dependence
Remark
ATC code: 
Chemical group: 
Activity
Nicotine withdrawal
Target
CHRNA4/CHRNB2 [HSA:1137 1141] [KO:K04806 K04813]
  Pathway
Neuroactive ligand-receptor interaction
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)
Cytochrome P450 interactions [BR:br08309]
 Transporter substrates
  SLC22A2
   Varenicline
    D08669  Varenicline (INN)
   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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