KEGG   DRUG: D10180Help
Entry
D10180                      Drug                                   

Name
Umeclidinium (USAN)
Formula
C29H34NO2
Exact mass
428.259
Mol weight
428.5858
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
      D10180  Umeclidinium (USAN)
BRITE hierarchy
Other DBs
CAS: 
869185-19-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        32
            1   C1x C    20.6500  -23.5200
            2   C1z C    19.3900  -22.8200
            3   C1x C    20.6500  -24.9900
            4   C1x C    18.1300  -23.5200
            5   C1x C    19.8100  -24.0800
            6   N2y N    19.3900  -25.6900 #+
            7   C1x C    18.1300  -24.9200
            8   C1x C    18.9700  -24.2900
            9   C1b C    19.3900  -27.0900
            10  C1b C    18.1776  -27.7900
            11  O2a O    16.9821  -27.0996
            12  C1b C    15.7947  -27.7851
            13  C8y C    14.6035  -27.0971
            14  C8x C    14.6035  -25.6902
            15  C8x C    13.3911  -24.9902
            16  C8x C    12.1787  -25.6902
            17  C8x C    12.1786  -27.0970
            18  C8x C    13.3910  -27.7971
            19  C1d C    19.3900  -21.4200
            20  C8y C    20.6024  -20.7200
            21  C8y C    18.1776  -20.7200
            22  O1a O    20.6024  -22.1200
            23  C8x C    21.7979  -21.4104
            24  C8x C    23.0104  -20.7105
            25  C8x C    23.0106  -19.3105
            26  C8x C    21.8151  -18.6201
            27  C8x C    20.6026  -19.3200
            28  C8x C    18.1776  -19.3202
            29  C8x C    16.9651  -18.6202
            30  C8x C    15.7527  -19.3202
            31  C8x C    15.7527  -20.7200
            32  C8x C    16.9651  -21.4200
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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