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KEGG   DRUG: Buntanetap tartrate
Entry
D12319                      Drug                                   
Name
Buntanetap tartrate (USAN)
Formula
C20H23N3O2. C4H6O6
Exact mass
487.1955
Mol weight
487.50
Structure
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
Remark
Chemical structure group: DG03220
Efficacy
Neurodegenerative diseases agent, Acetylcholinesterase inhibitor
Comment
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
     D12319  Buntanetap tartrate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D12319  Buntanetap tartrate (USAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01595  Cholinesterase inhibitor
   DG01593  Acetylcholinesterase inhibitor
    DG03220  Buntanetap
Other DBs
CAS: 865795-23-9
PubChem: 497620732
LinkDB
KCF data

ATOM        35
            1   C1z C    15.0816  -14.6043
            2   C8y C    13.8237  -15.0235
            3   C1y C    15.9201  -15.7223
            4   C1x C    15.9201  -13.3464
            5   C1a C    14.2430  -13.4163
            6   C8y C    13.8237  -16.4211
            7   C8x C    12.5659  -14.3247
            8   N1y N    15.0816  -16.8404
            9   N1y N    17.2478  -15.3031
            10  C1x C    17.2478  -13.8356
            11  C8x C    12.5659  -17.1199
            12  C8y C    11.3779  -15.0235
            13  C1a C    15.5008  -18.1681
            14  C8x C    11.3779  -16.4211
            15  O7a O    10.1899  -14.3247
            16  C7a C     9.0020  -15.0235
            17  N1b N     7.8140  -14.3247
            18  O6a O     9.0020  -16.4211
            19  C8y C     6.4863  -15.0235
            20  C1a C    18.3659  -16.0717
            21  C8x C     5.2983  -14.3247
            22  C8x C     4.1104  -15.0235
            23  C8x C     4.1104  -16.4211
            24  C8x C     5.2983  -17.1199
            25  C8x C     6.4863  -16.4910
            26  C6a C    23.2400  -15.4000
            27  C1c C    24.4524  -16.1000
            28  O6a O    22.0276  -16.1000
            29  C1c C    25.6479  -15.4096
            30  C6a C    26.8353  -16.0951
            31  O6a O    28.0265  -15.4071
            32  O6a O    23.2400  -14.0000
            33  O6a O    26.8355  -17.4998
            34  O1a O    24.4525  -17.4998
            35  O1a O    25.6480  -14.0003
BOND        37
            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
            29   26  27 1
            30   26  28 1
            31   27  29 1
            32   29  30 1
            33   30  31 1
            34   26  32 2
            35   30  33 2
            36   27  34 1 #Up
            37   29  35 1 #Up

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