KEGG   DRUG: Tebanicline tosylate
Entry
D06016                      Drug                                   
Name
Tebanicline tosylate (USAN)
Formula
C9H11ClN2O. C7H8O3S
Exact mass
370.0754
Mol weight
370.85
Structure
Efficacy
Analgesic, Nicotinic acetylcholine receptor partial agonist
Target
CHRNA3/CHRNB4 [HSA:1136 1143] [KO:K04805 K04815]
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)
    CHRNA3/CHRNB4
     D06016  Tebanicline tosylate (USAN)
    CHRNA4/CHRNB2
     D06016  Tebanicline tosylate (USAN)
Other DBs
CAS: 198283-74-8
PubChem: 47207674
LigandBox: D06016
LinkDB
KCF data

ATOM        24
            1   C1y C    24.4967  -15.2723
            2   C1x C    24.8637  -16.6281
            3   C1x C    26.2195  -16.2611
            4   N1x N    25.8525  -14.9053
            5   C8y C    18.4268  -13.2027
            6   N5x N    19.6352  -12.5056
            7   X   Cl   17.2242  -12.4999
            8   C8x C    18.4268  -14.6029
            9   C8x C    20.8435  -13.2027
            10  C8x C    19.6352  -15.3000
            11  C8y C    20.8435  -14.6029
            12  O2a O    22.0577  -15.3000
            13  C1b C    23.2943  -14.5820
            14  C8x C    29.3300  -13.7200
            15  C8x C    29.3300  -15.1200
            16  C8y C    30.5424  -15.8200
            17  C8x C    31.7549  -15.1200
            18  C8x C    31.7549  -13.7200
            19  C8y C    30.5424  -13.0200
            20  C1a C    30.5424  -17.2198
            21  S4a S    30.5424  -11.6202
            22  O1d O    30.5424  -10.2202
            23  O1d O    29.1200  -11.6202
            24  O1d O    31.9200  -11.6202
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     5   6 1
            6     5   7 1
            7     5   8 2
            8     6   9 2
            9     8  10 1
            10    9  11 1
            11   11  12 1
            12   10  11 2
            13   12  13 1
            14    1  13 1 #Up
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   14  19 1
            21   16  20 1
            22   19  21 1
            23   21  22 1
            24   21  23 2
            25   21  24 2

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