KEGG   DRUG: UmeclidiniumHelp
Entry
D10180                      Drug                                   

Name
Umeclidinium (USAN)
Formula
C29H34NO2
Exact mass
428.259
Mol weight
428.5858
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
Remark
Chemical group: 
Activity
Bronchodilator, Muscarinic antagonist
Comment
Quaternary ammonium compound
Long-acting muscarinic acetylcholine antagonist (LAMA)
Treatment of COPD
Target
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Cholinergic synapse
Interaction
Drug interaction
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

» Japanese version   » Back

DBGET integrated database retrieval system