KEGG   DRUG: SofiniclineHelp
Entry
D09382                      Drug                                   

Name
Sofinicline (USAN)
Formula
C10H11Cl2N3
Exact mass
243.033
Mol weight
244.1204
Structure
Mol fileKCF fileDB search
Class
Other
 DG01570  Nicotinic cholinergic receptor agonist
Remark
Chemical structure group: DG01286
Efficacy
Dementia therapeutic agent, Nicotinic acetylcholine receptor agonist
Comment
Attention deficit/hyperactivity disorder, neuropathic pain, Alzheimer's type dementia
Target
CHRNA4/CHRNB2 [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
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRNA4/CHRNB2
     D09382  Sofinicline (USAN)
BRITE hierarchy
Other DBs
CAS: 799279-80-4
PubChem: 96026062
ChEMBL: CHEMBL238465
LigandBox: D09382
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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