KEGG   DRUG: D09382Help
Entry
D09382                      Drug                                   

Name
Sofinicline (USAN)
Formula
C10H11Cl2N3
Exact mass
243.033
Mol weight
244.1204
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Attention deficit/hyperactivity disorder, neuropathic pain, Alzheimer's type dementia
Target
nicotinic cholinergic receptor alpha4beta2 agonist [HSA:1137 1141] [KO:K04806 K04813]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse  
 
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Cys-loop superfamily
   Acetylcholine (nicotinic)
    alpha4beta2 nicotinic receptor
     Sofinicline
      D09382  Sofinicline (USAN)
BRITE hierarchy
Other DBs
CAS: 
799279-80-4
PubChem: 
LigandBox: 
KCF data Show

ATOM        15
            1   C1y C    15.5400  -24.5000
            2   C1y C    15.9600  -25.8300
            3   C1x C    17.3600  -25.8300
            4   N1y N    17.7800  -24.5000
            5   C1x C    16.6600  -23.6600
            6   C1x C    14.2100  -24.9200
            7   N1x N    14.6300  -26.2500
            8   C8x C    18.9700  -22.4000
            9   C8y C    18.9700  -23.8000
            10  C8x C    20.1600  -24.5000
            11  C8y C    21.4200  -23.8000
            12  C8y C    21.4200  -22.4000
            13  N5x N    20.1600  -21.7000
            14  X   Cl   22.6100  -21.7000
            15  X   Cl   22.6100  -24.5000
BOND        17
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 1
            8     2   7 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   12  14 1
            16   11  15 1
            17    9   4 1

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