KEGG   DRUG: Poldine methylsulfate
Entry
D05535                      Drug                                   
Name
Poldine methylsulfate (USAN);
Poldine metilsulfate
Formula
C21H26NO3. CH3SO4
Exact mass
451.1665
Mol weight
451.53
Structure
Simcomp
Remark
ATC code: A03AB11
Efficacy
Muscarinic acetylcholine receptor antagonist
Comment
Quaternary ammonium compound
Target
CHRM [HSA:1128 1129 1131 1132 1133] [KO:K04129 K04130 K04131 K04132 K04133]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
    A03AB Synthetic anticholinergics, quaternary ammonium compounds
     A03AB11 Poldine
      D05535  Poldine methylsulfate (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D05535  Poldine methylsulfate (USAN)
Other DBs
CAS: 545-80-2
PubChem: 47207201
LigandBox: D05535
NIKKAJI: J244.627H
LinkDB
KCF data

ATOM        31
            1   S4a S    31.0800  -21.0000
            2   O2a O    29.6800  -21.0700
            3   O1d O    31.0800  -19.3900
            4   O1d O    32.4100  -21.0000 #-
            5   C1a C    28.9800  -19.9500
            6   O1d O    31.0800  -22.4000
            7   C1x C    17.0800  -20.6500
            8   C1y C    18.2924  -19.9500
            9   C1b C    19.5049  -20.6500
            10  O7a O    20.7173  -19.9500
            11  C7a C    21.9297  -20.6500
            12  C1d C    23.1422  -19.9500
            13  C8y C    24.3546  -20.6500
            14  C8y C    23.1422  -18.5503
            15  C8x C    24.3754  -17.8380
            16  C8x C    24.3752  -16.4380
            17  C8x C    23.1626  -15.7382
            18  C8x C    21.9294  -16.4505
            19  C8x C    21.9296  -17.8505
            20  C8x C    24.3546  -22.0500
            21  C8x C    25.5670  -22.7500
            22  C8x C    26.7795  -22.0500
            23  C8x C    26.7795  -20.6500
            24  C8x C    25.5670  -19.9500
            25  O6a O    21.9297  -22.0499
            26  O1a O    24.3546  -19.2500
            27  N2y N    17.9301  -18.5977 #+
            28  C1x C    16.5320  -18.5244
            29  C1x C    16.0303  -19.8315
            30  C1a C    17.9301  -17.1977
            31  C1a C    19.2824  -18.2354
BOND        32
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     1   6 2
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12   12  14 1
            13   14  15 2
            14   15  16 1
            15   16  17 2
            16   17  18 1
            17   18  19 2
            18   14  19 1
            19   13  20 2
            20   20  21 1
            21   21  22 2
            22   22  23 1
            23   23  24 2
            24   13  24 1
            25   11  25 2
            26   12  26 1
            27    8  27 1
            28   27  28 1
            29   28  29 1
            30   29   7 1
            31   27  30 1
            32   27  31 1

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