KEGG   DRUG: Parapenzolate bromideHelp
Entry
D05360                      Drug                                   

Name
Parapenzolate bromide (USAN/INN)
Formula
C21H26NO3. Br
Exact mass
419.1096
Mol weight
420.34
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Antispasmodic, Muscarinic acetylcholine receptor antagonist
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D05360  Parapenzolate bromide (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 5634-41-3
PubChem: 47207041
ChEMBL: CHEMBL2105468
LigandBox: D05360
NIKKAJI: J244.725H
KCF data Show

ATOM        26
            1   X   Br   31.3864  -22.1982 #-
            2   C1x C    20.3845  -20.8047
            3   C1x C    21.5877  -20.1100
            4   C1y C    22.7909  -20.8047
            5   O7a O    23.9942  -20.1100
            6   C7a C    25.1974  -20.8047
            7   C1d C    26.4006  -20.1100
            8   C8y C    27.6038  -20.8047
            9   C8y C    26.4006  -18.7207
            10  C8x C    27.5911  -18.0333
            11  C8x C    27.5910  -16.6439
            12  C8x C    26.3877  -15.9494
            13  C8x C    25.1973  -16.6368
            14  C8x C    25.1974  -18.0261
            15  C8x C    27.6038  -22.1937
            16  C8x C    28.8070  -22.8884
            17  C8x C    30.0103  -22.1937
            18  C8x C    30.0103  -20.8047
            19  C8x C    28.8070  -20.1100
            20  O6a O    25.1974  -22.1940
            21  O1a O    27.6038  -19.4153
            22  N2y N    20.3845  -22.1940 #+
            23  C1x C    21.5877  -22.8887
            24  C1x C    22.7909  -22.1940
            25  C1a C    19.0425  -21.1398
            26  C1a C    19.1812  -22.8887
BOND        27
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     7   8 1
            7     7   9 1
            8     9  10 2
            9    10  11 1
            10   11  12 2
            11   12  13 1
            12   13  14 2
            13    9  14 1
            14    8  15 2
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 2
            19    8  19 1
            20    6  20 2
            21    7  21 1
            22    2  22 1
            23   22  23 1
            24   23  24 1
            25    4  24 1
            26   22  25 1
            27   22  26 1

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