KEGG   DRUG: Pipenzolate bromideHelp
Entry
D07084                      Drug                                   

Name
Pipenzolate bromide (INN)
Formula
C22H28NO3. Br
Exact mass
433.1253
Mol weight
434.3666
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: A03AB14
Efficacy
Muscarinic acetylcholine receptor antagonist
Comment
Quaternary ammonium compound
Target
  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
     A03AB14 Pipenzolate
      D07084  Pipenzolate bromide (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D07084  Pipenzolate bromide (INN)
BRITE hierarchy
Other DBs
CAS: 125-51-9
PubChem: 51091426
ChEMBL: CHEMBL1401367
LigandBox: D07084
NIKKAJI: J300.499F
KCF data Show

ATOM        27
            1   C8x C    19.6299  -11.6776
            2   C8x C    20.8363  -10.9674
            3   C8x C    22.0432  -11.6377
            4   C8x C    22.0792  -13.0786
            5   C8y C    20.8727  -13.7888
            6   C8x C    19.6303  -13.0582
            7   C1d C    20.8732  -15.1694
            8   C8y C    22.0801  -15.8398
            9   C8x C    23.2866  -15.1295
            10  C8x C    24.5290  -15.8602
            11  C8x C    24.5294  -17.2408
            12  C8x C    23.3230  -17.9510
            13  C8x C    22.0461  -17.2806
            14  C7a C    19.6668  -15.8796
            15  O7a O    18.4599  -15.2093
            16  O6a O    19.6673  -17.2602
            17  C1y C    17.2593  -15.9293
            18  C1x C    16.0268  -15.2448
            19  N2y N    14.8263  -15.9648 #+
            20  C1x C    14.8495  -17.3645
            21  C1x C    16.0820  -18.0491
            22  C1x C    17.2826  -17.3290
            23  C1b C    13.6382  -16.6773
            24  C1a C    12.4077  -15.9938
            25  C1a C    14.1075  -14.7664
            26  O1a O    22.0857  -14.4694
            27  X   Br   15.9590  -12.6694 #-
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    7  14 1
            16   14  15 1
            17   14  16 2
            18   15  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   17  22 1
            25   19  23 1
            26   23  24 1
            27   19  25 1
            28    7  26 1

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