KEGG   DRUG: Aclidinium bromide
Entry
D08837                      Drug                                   
Name
Aclidinium bromide (JAN/USAN/INN);
Tudorza pressair (TN);
Eklira genuair (TN)
Product
Formula
C26H30NO4S2. Br
Exact mass
563.08
Mol weight
564.5547
Structure
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
Metabolizing enzyme substrate
 DG02973  BCHE substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
  DG01522  CYP3A4 inhibitor
 DG01915  CYP3A5 inhibitor
Remark
Therapeutic category: 2259
ATC code: R03BB05
Product: D08837<JP/US>
Product (mixture): D11857<US>
Efficacy
Bronchodilator, Muscarinic acetylcholine receptor antagonist
  Disease
Chronic obstructive pulmonary disease [DS:H01714]
Comment
Quaternary ammonium compound
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
Metabolism
Enzyme: BCHE [HSA:590]
Interaction
CYP inhibition: CYP2D6 [HSA:1565], CYP3A4 [HSA:1576], CYP3A5 [HSA:1577]
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
     R03BB05 Aclidinium bromide
      D08837  Aclidinium bromide (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Bronchodilators, Anticholinergic
   Aclidinium
    D08837  Aclidinium bromide (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  22  Respiratory organ agents
   225  Bronchodilators
    2259  Others
     D08837  Aclidinium bromide (JAN/USAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01491  Muscarinic cholinergic receptor antagonist
   D08837  Aclidinium bromide
 Metabolizing enzyme substrate
  DG02973  BCHE substrate
   D08837  Aclidinium bromide
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   D08837  Aclidinium bromide
  DG02852  CYP3A/CYP3A4 inhibitor
   DG01522  CYP3A4 inhibitor
    D08837  Aclidinium bromide
  DG01915  CYP3A5 inhibitor
   D08837  Aclidinium bromide
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D08837  Aclidinium bromide (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D08837
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D08837
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D08837
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D08837
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08837
Other DBs
CAS: 320345-99-1
PubChem: 96025520
ChEBI: 65344
LigandBox: D08837
LinkDB
KCF data

ATOM        34
            1   C1d C    23.0773  -15.4815
            2   C8y C    23.0773  -14.0754
            3   C7a C    21.8117  -16.1847
            4   O7a O    20.6165  -15.4815
            5   O6a O    21.8117  -17.5908
            6   C1y C    19.4214  -16.1847
            7   C1y C    18.1559  -15.4815
            8   C1x C    19.4214  -17.6611
            9   C1x C    16.8903  -16.1847
            10  C1x C    18.5777  -16.7471
            11  N2y N    18.1559  -18.3642 #+
            12  C1x C    16.8903  -17.5908
            13  C1x C    17.7339  -16.9580
            14  O1a O    24.2725  -14.7785
            15  C1b C    18.1559  -19.7703
            16  C8x C    24.2149  -13.2489
            17  C8x C    23.7804  -11.9116
            18  C8x C    22.3743  -11.9116
            19  S2x S    21.9398  -13.2489
            20  C1b C    16.9381  -20.4734
            21  C1b C    15.7373  -19.7799
            22  O2a O    14.5447  -20.4684
            23  C8y C    13.3483  -19.7774
            24  C8x C    13.3483  -18.3644
            25  C8x C    12.1306  -17.6613
            26  C8x C    10.9129  -18.3644
            27  C8x C    10.9128  -19.7773
            28  C8x C    12.1305  -20.4805
            29  C8y C    24.0532  -16.7238
            30  C8x C    24.5155  -18.0413
            31  C8x C    25.9112  -18.0087
            32  C8x C    26.3117  -16.6712
            33  S2x S    25.1634  -15.8771
            34  X   Br   11.7579  -13.5833 #-
BOND        37
            1     1   2 1
            2     1   3 1
            3     3   4 1
            4     3   5 2
            5     6   4 1 #Up
            6     6   7 1
            7     6   8 1
            8     7   9 1
            9     7  10 1
            10    8  11 1
            11    9  12 1
            12   10  13 1
            13   11  12 1
            14   11  13 1
            15    1  14 1
            16   11  15 1
            17    2  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21    2  19 1
            22   15  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   32  33 1
            36   29  33 1
            37    1  29 1

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