KEGG   DRUG: CytisineHelp
Entry
D07770                      Drug                                   

Name
Cytisine;
Tabex (TN)
Formula
C11H14N2O
Exact mass
190.1106
Mol weight
190.2417
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Source
Laburnum anagyroides [TAX:49828]
Remark
Same as: C10763
ATC code: N07BA04
Efficacy
Smoking cessation adjunct
Comment
Alkaloid
Target
  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
     N07BA04 Cytisine
      D07770  Cytisine
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRN
     D07770  Cytisine
BRITE hierarchy
Other DBs
CAS: 485-35-8
PubChem: 96024468
ChEBI: 4055
ChEMBL: CHEMBL47039
LigandBox: D07770
NIKKAJI: J9.571K
LinkDB All DBs
KCF data Show

ATOM        14
            1   C8x C    21.1400  -16.8700
            2   C8x C    21.1400  -18.2700
            3   C8y C    22.4000  -18.9700
            4   C8x C    22.4000  -16.1700
            5   C8y C    23.5900  -16.8700
            6   N4y N    23.5900  -18.2700
            7   C1x C    24.7800  -18.9700
            8   C1y C    25.9700  -18.2700
            9   C1x C    26.0400  -16.8700
            10  C1y C    24.7800  -16.1700
            11  C1x C    26.0400  -15.4700
            12  N1x N    27.2300  -16.1000
            13  C1x C    27.2300  -17.5700
            14  O5x O    22.3300  -20.3700
BOND        16
            1     5   4 2
            2     4   1 1
            3     5   6 1
            4     6   7 1
            5     7   8 1
            6     8   9 1 #Down
            7    10   9 1 #Down
            8    10   5 1
            9    10  11 1
            10    8  13 1
            11   11  12 1
            12    1   2 2
            13    2   3 1
            14   12  13 1
            15    3   6 1
            16    3  14 2

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