KEGG   DRUG: Donepezil
Entry
D07869                      Drug                                   
Name
Donepezil (JAN/INN);
Donaz (TN)
Formula
C24H29NO3
Exact mass
379.2147
Mol weight
379.492
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
 DG01968  Antidementia agent
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: N06DA02
Chemical structure group: DG00983
Product (DG00983): D00670<JP/US>
Product (mixture): D11387<US>
Efficacy
Dementia therapeutic agent, Acetylcholinesterase inhibitor
Target
ACHE [HSA:43] [KO:K01049]
  Pathway
hsa00564  Glycerophospholipid metabolism
hsa04725  Cholinergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576]; CYP2D6 [HSA:1565]
Interaction
Structure map
map07056  Agents for Alzheimer-type dementia
map07220  Cholinergic and anticholinergic drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06D ANTI-DEMENTIA DRUGS
    N06DA Anticholinesterases
     N06DA02 Donepezil
      D07869  Donepezil (JAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01595  Cholinesterase inhibitor
   DG01593  Acetylcholinesterase inhibitor
    DG00983  Donepezil
     D07869  Donepezil
  DG01968  Antidementia agent
   DG00983  Donepezil
    D07869  Donepezil
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00983  Donepezil
    D07869  Donepezil
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00983  Donepezil
     D07869  Donepezil
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D07869  Donepezil (JAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07869
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01595  Cholinesterase inhibitor
   DG01593  Acetylcholinesterase inhibitor
    DG00983  Donepezil
  DG01968  Antidementia agent
   DG00983  Donepezil
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00983  Donepezil
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00983  Donepezil
Other DBs
CAS: 120014-06-4
PubChem: 96024565
ChEBI: 53289
LigandBox: D07869
NIKKAJI: J549.465F
LinkDB
KCF data

ATOM        28
            1   C8y C    26.5300  -17.3600
            2   C8x C    26.5300  -18.7600
            3   C8x C    27.7200  -19.4600
            4   C8x C    28.9100  -18.7600
            5   C8x C    28.9100  -17.3600
            6   C8x C    27.7200  -16.6600
            7   C1b C    25.2700  -16.6600
            8   N1y N    24.0800  -17.3600
            9   C1x C    22.8900  -16.6600
            10  C1x C    21.7000  -17.3600
            11  C1y C    21.7000  -18.7600
            12  C1x C    22.8900  -19.4600
            13  C1x C    24.0800  -18.7600
            14  C1b C    20.4400  -19.4600
            15  C1y C    19.2500  -18.7600
            16  C5x C    19.2500  -17.3600
            17  C8y C    17.9900  -16.8700
            18  C8y C    17.0800  -17.9900
            19  C1x C    17.9200  -19.1800
            20  O5x O    20.4400  -16.5900
            21  C8x C    17.4300  -15.5400
            22  C8y C    16.0300  -15.3300
            23  C8y C    15.1900  -16.4500
            24  C8x C    15.6800  -17.7800
            25  O2a O    15.5400  -14.0700
            26  C1a C    14.2100  -14.0700
            27  O2a O    13.8600  -16.4500
            28  C1a C    13.0900  -15.2600
BOND        31
            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     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 1
            15   11  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   15  19 1
            22   16  20 2
            23   17  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   18  24 2
            28   22  25 1
            29   25  26 1
            30   23  27 1
            31   27  28 1

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