KEGG   DRUG: Varenicline
Entry
D08669                      Drug                                   
Name
Varenicline (INN)
Formula
C13H13N3
Exact mass
211.1109
Mol weight
211.2624
Structure
Class
Neuropsychiatric agent
 DG01571  Nicotinic cholinergic receptor partial agonist
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
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
Other DBs
CAS: 249296-44-4
PubChem: 96025352
ChEBI: 84500
PDB-CCD: QMR[PDBj]
LigandBox: D08669
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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Ontology (3)   
   KEGG BRITE (3)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   PDB-CCD (1)   
Gene (4)   
   KEGG ORTHOLOGY (2)   
   KEGG GENES (2)   
All databases (14)   

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