KEGG   DRUG: D08851Help
Entry
D08851                      Drug                                   
Name
Amibegron hydrochloride (USAN)
Formula
C22H26ClNO4. HCl
Exact mass
439.1317
Mol weight
440.3601
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antidepressant
Target
beta3-adrenergic receptor agonist [HSA:155] [KO:K04143]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta3-adrenergic receptor [HSA:155] [KO:K04143]
     Amibegron
      D08851  Amibegron hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
121524-09-2
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C8y C    18.2639  -17.2135
            2   C8x C    18.2639  -15.8142
            3   C8x C    19.5233  -15.1145
            4   C8x C    20.7827  -15.8142
            5   C8y C    20.7827  -17.2135
            6   C8x C    19.5233  -17.9132
            7   X   Cl   17.0744  -17.9132
            8   C1c C    21.9721  -17.9132
            9   C1b C    23.1616  -17.2135
            10  N1b N    24.3510  -17.9132
            11  O1a O    21.9022  -19.3125
            12  C1y C    25.5405  -17.2135
            13  C1x C    26.7299  -17.9132
            14  C8y C    27.9194  -17.2135
            15  C8y C    27.9194  -15.8142
            16  C1x C    26.7999  -15.1145
            17  C1x C    25.5405  -15.8142
            18  C8x C    29.1088  -17.9132
            19  C8y C    30.3682  -17.2135
            20  C8x C    30.3682  -15.8142
            21  C8x C    29.1788  -15.1145
            22  O2a O    31.5577  -17.9132
            23  C1b C    32.7471  -17.2135
            24  C7a C    33.9366  -17.9132
            25  O7a O    35.1960  -17.2835
            26  O6a O    33.9366  -19.3825
            27  C1b C    36.3854  -17.9832
            28  C1a C    37.5749  -17.2835
            29  X   Cl   26.3101  -21.4116
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11    8  11 1 #Down
            12   12  10 1 #Up
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   12  17 1
            19   14  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   15  21 2
            24   19  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   24  26 2
            29   25  27 1
            30   27  28 1

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