KEGG   DRUG: DifemerineHelp
Entry
D07079                      Drug                                   

Name
Difemerine (INN)
Formula
C20H25NO3
Exact mass
327.1834
Mol weight
327.4174
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: A03AA09
Efficacy
Muscarinic acetylcholine receptor antagonist
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling 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
    A03AA Synthetic anticholinergics, esters with tertiary amino group
     A03AA09 Difemerine
      D07079  Difemerine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D07079  Difemerine (INN)
BRITE hierarchy
Other DBs
CAS: 80387-96-8
PubChem: 51091421
LigandBox: D07079
NIKKAJI: J7.951K
LinkDB All DBs
KCF data Show

ATOM        24
            1   C1d C    19.4600  -23.9400
            2   C8y C    20.6724  -24.6400
            3   C7a C    18.2476  -24.6400
            4   C8y C    19.4600  -22.5400
            5   C8x C    20.6724  -21.8400
            6   C8x C    20.6724  -20.4400
            7   C8x C    19.4600  -19.7400
            8   C8x C    18.2476  -20.4400
            9   C8x C    18.2476  -21.8400
            10  C8x C    20.6724  -26.0398
            11  C8x C    21.8849  -26.7398
            12  C8x C    23.0973  -26.0398
            13  C8x C    23.0973  -24.6400
            14  C8x C    21.8849  -23.9400
            15  O1a O    20.6724  -23.2400
            16  O7a O    17.0521  -23.9496
            17  O6a O    18.2475  -26.0398
            18  C1b C    15.8647  -24.6351
            19  C1d C    14.6791  -23.9578
            20  N1c N    13.4840  -24.6338
            21  C1a C    12.2939  -23.9465
            22  C1a C    13.4838  -26.0398
            23  C1a C    14.0722  -22.6887
            24  C1a C    15.4859  -22.7814
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     4   5 2
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     4   9 1
            10    2  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    2  14 1
            16    1  15 1
            17    3  16 1
            18    3  17 2
            19   16  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   20  22 1
            24   19  23 1
            25   19  24 1

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