KEGG   DRUG: Solabegron hydrochlorideHelp
Entry
D05879                      Drug                                   

Name
Solabegron hydrochloride (USAN)
Formula
C23H23ClN2O3. HCl
Exact mass
446.1164
Mol weight
447.3543
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01453  beta3-Adrenergic receptor agonist
Activity
Antidiabetic [beta adrenoreceptor agonist]
Target
ADRB3 [HSA:155] [KO:K04143]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Endocytosis
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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