KEGG   DRUG: D08850Help
Entry
D08850                      Drug                                   

Name
Amibegron (USAN/INN)
Formula
C22H26ClNO4
Exact mass
403.155
Mol weight
403.8991
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  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta3-adrenergic receptor
     Amibegron
      D08850  Amibegron (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
121524-08-1
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C8y C     9.5747  -16.1512
            2   C8x C     9.5747  -14.7530
            3   C8x C    10.8330  -14.0538
            4   C8x C    12.0914  -14.7530
            5   C8y C    12.0914  -16.1512
            6   C8x C    10.8330  -16.8503
            7   X   Cl    8.3862  -16.8503
            8   C1c C    13.2799  -16.8503
            9   C1b C    14.4683  -16.1512
            10  N1b N    15.6568  -16.8503
            11  O1a O    13.2100  -18.2485
            12  C1y C    16.8733  -16.1611
            13  C1x C    18.0532  -16.8553
            14  C8y C    19.2698  -16.1662
            15  C8y C    19.2813  -14.7680
            16  C1x C    18.1013  -14.0737
            17  C1x C    16.8849  -14.7629
            18  C8x C    20.4749  -16.8752
            19  C8y C    21.6915  -16.1861
            20  C8x C    21.7030  -14.7879
            21  C8x C    20.4979  -14.0788
            22  O2a O    22.8648  -16.8759
            23  C1b C    24.0864  -16.1835
            24  C7a C    25.2989  -16.8966
            25  O7a O    26.5093  -16.2110
            26  O6a O    25.2871  -18.3183
            27  C1b C    27.7064  -16.9154
            28  C1a C    28.9019  -16.2382
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 2
            16   15  16 1
            17   16  17 1
            18   12  17 1
            19   14  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   15  21 1
            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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