KEGG   DRUG: Cytisinicline
Entry
D07770                      Drug                                   
Name
Cytisinicline (USAN);
Cytisine;
Tabex (TN)
Formula
C11H14N2O
Exact mass
190.1106
Mol weight
190.2417
Structure
Simcomp
Source
Laburnum anagyroides [TAX:49828]
Remark
Same as: C10763
ATC code: N07BA04
Efficacy
Smoking cessation adjunct
Comment
Alkaloid
Target
CHRN [HSA:1134 1135 1136 1137 1138 8973 1139 55584 57053 1140 1141 1142 1143 1144 1145 1146] [KO:K04803 K04804 K04805 K04806 K04807 K04808 K04809 K04810 K04811 K04812 K04813 K04814 K04815 K04816 K04817 K04818]
  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 Cytisinicline
      D07770  Cytisinicline (USAN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRN
     D07770  Cytisinicline (USAN)
Other DBs
CAS: 485-35-8
PubChem: 96024468
ChEBI: 4055
LigandBox: D07770
NIKKAJI: J9.571K
KCF data

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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Ontology (2)   
   KEGG BRITE (2)   
Drug (1)   
   LigandBox (1)   
Chemical substance (6)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
Gene (32)   
   KEGG ORTHOLOGY (16)   
   KEGG GENES (16)   
All databases (41)   

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