KEGG   DRUG: Lobeline hydrochloride
Entry
D02202                      Drug                                   
Name
Lobeline hydrochloride (JAN)
Formula
C22H27NO2. HCl
Exact mass
373.1809
Mol weight
373.9162
Structure
Simcomp
Source
Lobelia inflata [TAX:308559]
Class
Neuropsychiatric agent
 DG01571  Nicotinic cholinergic receptor partial agonist
Remark
Chemical structure group: DG01287
Efficacy
Respiratory stimulant
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
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01571  Nicotinic cholinergic receptor partial agonist
   DG01287  Lobeline
    D02202  Lobeline hydrochloride
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRN
     D02202  Lobeline hydrochloride (JAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01571  Nicotinic cholinergic receptor partial agonist
   DG01287  Lobeline
Other DBs
CAS: 134-63-4
PubChem: 7849262
LigandBox: D02202
NIKKAJI: J237.306H
LinkDB
KCF data

ATOM        26
            1   X   Cl   40.7345  -17.5130
            2   C8x C    23.7330  -17.3332
            3   C8x C    23.7330  -18.7255
            4   C8x C    24.9860  -19.4216
            5   C8x C    26.1694  -18.7255
            6   C8y C    26.1694  -17.3332
            7   C8x C    24.9860  -16.6371
            8   C5a C    27.4225  -16.6371
            9   C1b C    28.6059  -17.3332
            10  O5a O    27.4225  -15.2449
            11  C1y C    29.7893  -16.6371
            12  N1y N    30.9727  -17.3332
            13  C1y C    32.1562  -16.6371
            14  C1x C    32.1562  -15.2449
            15  C1x C    30.9727  -14.5487
            16  C1x C    29.7893  -15.2449
            17  C1b C    33.4092  -17.3332
            18  C1c C    34.5926  -16.6371
            19  C8y C    35.7760  -17.3332
            20  C8x C    35.7760  -18.7255
            21  C8x C    36.9595  -19.4216
            22  C8x C    38.2125  -18.7255
            23  C8x C    38.2125  -17.3332
            24  C8x C    36.9595  -16.6371
            25  O1a O    34.5926  -15.2449
            26  C1a C    30.9727  -18.9343
BOND        27
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     6   8 1
            8     8   9 1
            9     8  10 2
            10   11   9 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   11  16 1
            17   13  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   19  24 1
            26   18  25 1 #Down
            27   12  26 1

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