KEGG   DRUG: Varenicline
Entry
D08669                      Drug                                   
Name
Varenicline (INN)
Formula
C13H13N3
Exact mass
211.1109
Mol weight
211.26
Structure
Class
Neuropsychiatric agent
 DG01571  Nicotinic cholinergic receptor partial agonist
Unclassified
 DG01715  Drugs for nicotine dependence
Remark
ATC code: N07BA03 S01XA28
Chemical structure group: DG00995
Product (DG00995): D06282<JP/US>
Efficacy
Smoking cessation adjunct, Selective nicotinic acetylcholine receptor modulator
Comment
Nicotine withdrawal
Target
CHRNA4/CHRNB2 [HSA:1137 1141] [KO:K04806 K04813]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
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)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01X OTHER OPHTHALMOLOGICALS
    S01XA Other ophthalmologicals
     S01XA28 Varenicline
      D08669  Varenicline (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01571  Nicotinic cholinergic receptor partial agonist
   DG00995  Varenicline
    D08669  Varenicline
 Unclassified
  DG01715  Drugs for nicotine dependence
   DG00995  Varenicline
    D08669  Varenicline
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRNA4/CHRNB2
     D08669  Varenicline (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01571  Nicotinic cholinergic receptor partial agonist
   DG00995  Varenicline
 Unclassified
  DG01715  Drugs for nicotine dependence
   DG00995  Varenicline
Other DBs
CAS: 249296-44-4
PubChem: 96025352
PDB-CCD: QMR[PDBj]
LigandBox: D08669
LinkDB
KCF data

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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