KEGG   DRUG: D08837Help
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
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of symptoms related to chronic obstructive pulmonary disease
Remark
ATC code: 
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
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 (USAN/INN)
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Bronchodilators, Anticholinergic
   Aclidinium
    D08837  Aclidinium bromide (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor [HSA:1128 1129 1131 1132 1133] [KO:K04129 K04130 K04131 K04132 K04133]
     Aclidinium
      D08837  Aclidinium bromide (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
320345-99-1
PubChem: 
LigandBox: 
KCF data Show

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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