KEGG   DRUG: D10181Help
Entry
D10181                      Drug                                   

Name
Umeclidinium bromide (JAN/USAN)
Product
Formula
C29H34NO2. Br
Exact mass
507.1773
Mol weight
508.4898
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of COPD
Remark
Drug group: 
Comment
Long-acting muscarinic acetylcholine antagonist (LAMA)
Target
muscarinic cholinergic receptor antagonist [HSA:1128 1129 1131 1132 1133] [KO:K04129 K04130 K04131 K04132 K04133]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor
     Umeclidinium
      D10181  Umeclidinium bromide (USAN)
BRITE hierarchy
Other DBs
CAS: 
869113-09-7
PubChem: 
LigandBox: 
KCF data Show

ATOM        33
            1   C1x C    26.1100  -23.1000
            2   C1z C    24.8500  -22.4000
            3   C1x C    26.1100  -24.6400
            4   C1x C    23.5900  -23.1000
            5   C1x C    25.2700  -23.7300
            6   N2y N    24.8500  -25.3400 #+
            7   C1x C    23.5900  -24.5700
            8   C1x C    24.4300  -23.9400
            9   C1b C    24.8500  -26.7400
            10  C1b C    23.6600  -27.4400
            11  O2a O    22.4000  -26.7400
            12  C1b C    21.2100  -27.4400
            13  C8y C    20.0200  -26.7400
            14  C8x C    20.0200  -25.3400
            15  C8x C    18.8300  -24.6400
            16  C8x C    17.5700  -25.3400
            17  C8x C    17.5700  -26.7400
            18  C8x C    18.8300  -27.4400
            19  C1d C    24.8500  -21.0000
            20  C8y C    26.1100  -20.3000
            21  C8y C    23.6600  -20.3000
            22  O1a O    26.1100  -21.7000
            23  C8x C    27.3000  -21.0000
            24  C8x C    28.4900  -20.3000
            25  C8x C    28.4900  -18.9000
            26  C8x C    27.3000  -18.2000
            27  C8x C    26.1100  -18.9000
            28  C8x C    23.6600  -18.9000
            29  C8x C    22.4000  -18.2000
            30  C8x C    21.2100  -18.9000
            31  C8x C    21.2100  -20.3000
            32  C8x C    22.4000  -21.0000
            33  X   Br   28.1400  -26.8100 #-
BOND        36
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     6   7 1
            9     6   8 1
            10    6   9 1
            11    9  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21    2  19 1
            22   19  20 1
            23   19  21 1
            24   19  22 1
            25   20  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   20  27 1
            31   21  28 2
            32   28  29 1
            33   29  30 2
            34   30  31 1
            35   31  32 2
            36   21  32 1

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