KEGG   DRUG: Buntanetap
Entry
D12318                      Drug                                   
Name
Buntanetap (USAN)
Formula
C20H23N3O2
Exact mass
337.179
Mol weight
337.4155
Structure
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
Remark
Chemical structure group: DG03220
Efficacy
Neurodegenerative diseases agent, Acetylcholinesterase inhibitor
Comment
Physostigmine derivative
Treatment of neurodegenerative diseases (Alzheimer's, Parkinson's)
Target
ACHE [HSA:43] [KO:K01049]
  Pathway
hsa00564  Glycerophospholipid metabolism
hsa04725  Cholinergic synapse
Interaction
Brite
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01595  Cholinesterase inhibitor
   DG01593  Acetylcholinesterase inhibitor
    DG03220  Buntanetap
     D12318  Buntanetap
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D12318  Buntanetap (USAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01595  Cholinesterase inhibitor
   DG01593  Acetylcholinesterase inhibitor
    DG03220  Buntanetap
Other DBs
CAS: 116839-68-0
LinkDB
KCF data

ATOM        25
            1   C1z C    17.5579  -26.1507
            2   C8y C    16.2944  -26.5719
            3   C1y C    18.4001  -27.2738
            4   C1x C    18.4001  -24.9575
            5   C1a C    16.7156  -25.0277
            6   C8y C    16.2944  -27.9757
            7   C8x C    15.0310  -25.8700
            8   N1y N    17.5579  -28.3968
            9   N1y N    19.7338  -26.8526
            10  C1x C    19.7338  -25.3786
            11  C8x C    15.0310  -28.6776
            12  C8y C    13.8378  -26.5719
            13  C1a C    17.9790  -29.7304
            14  C8x C    13.8378  -27.9757
            15  O7a O    12.6445  -25.8700
            16  C7a C    11.4513  -26.5719
            17  N1b N    10.2581  -25.8700
            18  O6a O    11.4513  -27.9757
            19  C8y C     8.9946  -26.5719
            20  C1a C    20.8568  -27.6247
            21  C8x C     7.7816  -25.9141
            22  C8x C     6.5576  -26.5936
            23  C8x C     6.6041  -27.9934
            24  C8x C     7.7471  -28.7212
            25  C8x C     8.9711  -28.0417
BOND        28
            1    16  17 1
            2    16  18 2
            3    17  19 1
            4     6   8 1
            5     9  10 1
            6    12  14 1
            7     1   2 1
            8     1   3 1
            9     1   4 1
            10    1   5 1 #Down
            11    2   6 2
            12    2   7 1
            13    3   8 1
            14    3   9 1
            15    4  10 1
            16    6  11 1
            17    7  12 2
            18    8  13 1
            19   11  14 2
            20   12  15 1
            21   15  16 1
            22    9  20 1
            23   19  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   19  25 1

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