KEGG   DRUG: D09402Help
Entry
D09402                      Drug                                   

Name
Darotropium bromide (USAN/INN)
Formula
C24H29N2. Br
Exact mass
424.1514
Mol weight
425.4045
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of COPD
Remark
Drug group: 
Comment
long-acting muscarinic acetylcholine antagonist (LAMA)
Atropine [CPD:C01479] derivative
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  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor
     Darotropium
      D09402  Darotropium bromide (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
850607-58-8
PubChem: 
LigandBox: 
KCF data Show

ATOM        27
            1   C1x C    18.7600  -23.7300
            2   C1x C    19.1100  -22.5400
            3   C1y C    19.9500  -23.4500
            4   C1y C    20.3000  -22.2600
            5   N2y N    19.0400  -20.9300 #+
            6   C1x C    21.8400  -23.4500
            7   C1x C    21.5600  -22.2600
            8   C1y C    22.8900  -24.0100
            9   C1b C    23.9400  -24.8500
            10  C1a C    18.2700  -19.7400
            11  C1a C    17.7800  -21.5600
            12  C1d C    25.0340  -24.1305
            13  C8y C    26.3837  -24.7731
            14  C8y C    25.0942  -22.7540
            15  C3b C    26.2517  -23.4153
            16  C8x C    26.3105  -22.1205
            17  C8x C    26.3013  -20.7218
            18  C8x C    25.1904  -19.9699
            19  C8x C    23.9741  -20.6034
            20  C8x C    23.9133  -22.0020
            21  C8x C    26.3955  -26.1780
            22  C8x C    27.6466  -26.8063
            23  C8x C    28.8163  -26.0369
            24  C8x C    28.8744  -24.7021
            25  C8x C    27.4833  -24.0038
            26  N3a N    27.4642  -22.7153
            27  X   Br   20.7200  -19.3900 #-
BOND        29
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1
            6     4   7 1
            7     6   8 1
            8     8   9 1 #Down
            9     4   5 1
            10    7   8 1
            11    5  10 1
            12    5  11 1
            13    9  12 1
            14   12  13 1
            15   12  14 1
            16   12  15 1
            17   14  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   14  20 1
            23   13  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   13  25 1
            29   15  26 3

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