KEGG   DRUG: Umeclidinium bromide
Entry
D10181                      Drug                                   
Name
Umeclidinium bromide (JAN/USAN);
Incruse ellipta (TN)
Product
INCRUSE ELLIPTA (GlaxoSmithKline LLC)
Formula
C29H34NO2. Br
Exact mass
507.1773
Mol weight
508.4898
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
Therapeutic category: 2259
ATC code: R03BB07
Chemical structure group: DG01253
Product (DG01253): D10181<JP/US>
Product (mixture): D10533<JP/US> D11035<JP/US>
Efficacy
Bronchodilator, Muscarinic acetylcholine receptor antagonist
  Disease
Chronic obstructive pulmonary disease [DS:H01714]
Comment
Quaternary ammonium compound
Target
CHRM [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
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03B OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS
    R03BB Anticholinergics
     R03BB07 Umeclidinium bromide
      D10181  Umeclidinium bromide (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Bronchodilators, Anticholinergic
   Umeclidinium
    D10181  Umeclidinium bromide (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  22  Respiratory organ agents
   225  Bronchodilators
    2259  Others
     D10181  Umeclidinium bromide (JAN/USAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01491  Muscarinic cholinergic receptor antagonist
   DG01253  Umeclidinium
    D10181  Umeclidinium bromide
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG01253  Umeclidinium
    D10181  Umeclidinium bromide
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D10181  Umeclidinium bromide (JAN/USAN) <JP/US>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10181
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10181
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10181
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01491  Muscarinic cholinergic receptor antagonist
   DG01253  Umeclidinium
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG01253  Umeclidinium
Other DBs
CAS: 869113-09-7
PubChem: 135626899
ChEBI: 79040
LigandBox: D10181
KCF data

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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Disease (1)   
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   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
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