KEGG   DRUG: D05879Help
Entry
D05879                      Drug                                   

Name
Solabegron hydrochloride (USAN)
Formula
C23H23ClN2O3. HCl
Exact mass
446.1164
Mol weight
447.3543
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antidiabetic [beta adrenoreceptor agonist]
Target
beta3-adrenergic receptor agonist [HSA:155] [KO:K04143]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04144  Endocytosis
hsa04970  Salivary secretion  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta3-adrenergic receptor
     Solabegron
      D05879  Solabegron hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
451470-34-1
PubChem: 
LigandBox: 
KCF data Show

ATOM        30
            1   C8y C    15.3218  -19.6613
            2   C8x C    15.3218  -18.2620
            3   C8x C    16.5113  -17.5623
            4   C8x C    17.7707  -18.2620
            5   C8y C    17.7707  -19.6613
            6   C8x C    16.5113  -20.3609
            7   X   Cl   14.1325  -20.3609
            8   C1c C    18.9602  -20.3609
            9   C1b C    20.1776  -19.6712
            10  N1b N    21.3585  -20.3659
            11  C1b C    22.5633  -19.6833
            12  C1b C    23.7339  -20.3718
            13  N1b N    24.9438  -19.6862
            14  C8y C    26.1632  -20.4038
            15  O1a O    18.9488  -21.7603
            16  C8x C    26.1513  -21.8301
            17  C8x C    27.3573  -22.5399
            18  C8x C    28.5750  -21.8504
            19  C8y C    28.5869  -20.4241
            20  C8x C    27.3810  -19.7144
            21  C8y C    29.8050  -19.6940
            22  C8x C    31.0142  -20.3655
            23  C8y C    32.2141  -19.6458
            24  C8x C    32.1909  -18.2467
            25  C8x C    30.9819  -17.5752
            26  C8x C    29.8518  -18.2949
            27  C6a C    33.4204  -20.3161
            28  O6a O    34.6486  -19.5804
            29  O6a O    33.3731  -21.6903
            30  X   Cl   36.9415  -21.6203
BOND        31
            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   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    8  15 1 #Down
            16   14  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   14  20 1
            22   19  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   21  26 1
            29   23  27 1
            30   27  28 1
            31   27  29 2

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