KEGG   DRUG: D04057Help
Entry
D04057                      Drug                                   

Name
Esoxybutynin chloride (USAN)
Formula
C22H31NO3. HCl
Exact mass
393.2071
Mol weight
393.9474
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treats overactive bladder symptoms of urgency, frequency and urinary incontinence [antispasmodic / anticholinergic]
Remark
Drug group: 
Target
muscarinic cholinergic receptor M1, M2, M3 antagonist [HSA:1128 1129 1131] [KO:K04129 K04130 K04131]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04970  Salivary secretion
hsa04971  Gastric acid secretion
hsa04972  Pancreatic secretion  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor M1
     Esoxybutynin
      D04057  Esoxybutynin chloride (USAN)
    muscarinic cholinergic receptor M2
     Esoxybutynin
      D04057  Esoxybutynin chloride (USAN)
    muscarinic cholinergic receptor M3
     Esoxybutynin
      D04057  Esoxybutynin chloride (USAN)
    muscarinic cholinergic receptor
     Esoxybutynin
      D04057  Esoxybutynin chloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
230949-16-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        27
            1   X   Cl   34.2190  -20.6931
            2   C3b C    22.2224  -20.1318
            3   C1b C    23.4852  -20.8334
            4   O7a O    24.6778  -20.1318
            5   C7a C    25.9406  -20.8334
            6   C1d C    27.1332  -20.1318
            7   C8y C    28.3259  -20.8334
            8   C8x C    29.5887  -20.1318
            9   C8x C    30.7813  -20.8334
            10  C8x C    28.3259  -22.2365
            11  C8x C    29.5887  -22.9381
            12  C8x C    30.7813  -22.2365
            13  C1y C    27.1332  -18.7287
            14  C1x C    28.3259  -18.0272
            15  C1x C    28.3259  -16.6241
            16  C1x C    27.1332  -15.9225
            17  C1x C    25.9406  -16.6241
            18  C1x C    25.9406  -18.0272
            19  O1a O    28.3259  -19.4303
            20  O6a O    25.9406  -22.2365
            21  C3b C    21.0297  -19.4303
            22  C1b C    19.8371  -18.7287
            23  N1c N    18.5743  -19.4303
            24  C1b C    17.3816  -18.7287
            25  C1b C    18.5743  -20.8334
            26  C1a C    16.1890  -19.4303
            27  C1a C    17.3816  -21.5350
BOND        27
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     7   8 1
            7     8   9 2
            8     7  10 2
            9    10  11 1
            10   11  12 2
            11    9  12 1
            12    6  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   13  18 1
            19    6  19 1 #Down
            20    5  20 2
            21    2  21 3
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   23  25 1
            26   24  26 1
            27   25  27 1

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