KEGG   DRUG: Tacrine
Entry
D08555                      Drug                                   
Name
Tacrine (INN);
Tacrinal (TN)
Formula
C13H14N2
Exact mass
198.1157
Mol weight
198.2637
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
Remark
Same as: C01453
ATC code: N06DA01
Chemical structure group: DG00982
Efficacy
Antidote, Curare antagonist, Dementia therapeutic agent, Acetylcholinesterase inhibitor
Comment
Acridine derivative
Target
ACHE [HSA:43] [KO:K01049]
  Pathway
hsa00564  Glycerophospholipid metabolism
hsa04725  Cholinergic synapse
Metabolism
Enzyme: CYP1A2 [HSA:1544]
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
     N06DA01 Tacrine
      D08555  Tacrine (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01595  Cholinesterase inhibitor
   DG01593  Acetylcholinesterase inhibitor
    DG00982  Tacrine
     D08555  Tacrine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00982  Tacrine
    D08555  Tacrine
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D08555  Tacrine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08555
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01595  Cholinesterase inhibitor
   DG01593  Acetylcholinesterase inhibitor
    DG00982  Tacrine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00982  Tacrine
Other DBs
CAS: 321-64-2
PubChem: 96025240
ChEBI: 45980
PDB-CCD: THA[PDBj]
LigandBox: D08555
NIKKAJI: J5.670G
KCF data

ATOM        15
            1   C8y C    22.9600  -19.3200
            2   C8y C    22.9600  -17.9200
            3   N5x N    24.1500  -20.0200
            4   C8x C    21.7000  -20.0200
            5   C8y C    24.1500  -17.2200
            6   C8x C    21.7000  -17.2200
            7   C8y C    25.3400  -19.3200
            8   C8x C    20.5100  -19.3200
            9   C8y C    25.3400  -17.9200
            10  N1a N    24.1500  -15.8200
            11  C8x C    20.5100  -17.9200
            12  C1x C    26.6000  -20.0200
            13  C1x C    26.6000  -17.1500
            14  C1x C    27.7900  -19.3200
            15  C1x C    27.7900  -17.8500
BOND        17
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    9  13 1
            13   12  14 1
            14   13  15 1
            15    7   9 1
            16    8  11 1
            17   14  15 1

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