KEGG   DRUG: Physostigmine salicylate
Entry
D02418                      Drug                                   

Name
Physostigmine salicylate (JAN/USP);
Antilirium (TN)
Formula
C15H21N3O2. C7H6O3
Exact mass
413.1951
Mol weight
413.4669
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
Remark
ATC code: S01EB05 V03AB19
Chemical structure group: DG01132
Efficacy
Acetylcholinesterase inhibitor (ophthalmic)
Comment
Reversible cholinesterase inhibitor
Target
ACHE [HSA:43] [KO:K01049]
  Pathway
hsa04725  Cholinergic synapse
Interaction
Structure map
map07056  Agents for Alzheimer-type dementia
map07220  Cholinergic and anticholinergic drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01E ANTIGLAUCOMA PREPARATIONS AND MIOTICS
    S01EB Parasympathomimetics
     S01EB05 Physostigmine
      D02418  Physostigmine salicylate (JAN/USP)
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AB Antidotes
     V03AB19 Physostigmine
      D02418  Physostigmine salicylate (JAN/USP)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D02418  Physostigmine salicylate (JAN/USP)
Other DBs
CAS: 57-64-7
PubChem: 7849476
ChEBI: 48883
ChEMBL: CHEMBL338975
DrugBank: DB00981
LigandBox: D02418
NIKKAJI: J237.473K
KCF data

ATOM        30
            1   C1z C    31.2756  -15.7794
            2   C8y C    29.9756  -16.1973
            3   C1y C    32.1113  -16.8472
            4   C1x C    32.0649  -14.6186
            5   C1a C    30.4399  -14.6652
            6   C8y C    29.9755  -17.5901
            7   C8x C    28.7686  -15.5009
            8   N1y N    31.2756  -18.0080
            9   N1y N    33.4113  -16.4760
            10  C1x C    33.4113  -15.0830
            11  C8x C    28.7686  -18.2866
            12  C8y C    27.5613  -16.1973
            13  C1a C    31.8328  -19.3080
            14  C8x C    27.5613  -17.5901
            15  O7a O    26.3542  -15.5009
            16  C7a C    25.1471  -16.1973
            17  N1b N    23.9400  -15.5009
            18  O6a O    25.1471  -17.5901
            19  C1a C    22.7328  -16.1973
            20  C1a C    34.5007  -17.5770
            21  C8y C    38.8991  -16.9805
            22  C8y C    40.1059  -17.6769
            23  C8x C    37.6922  -17.6769
            24  C6a C    38.8991  -15.5882
            25  C8x C    40.1059  -19.0696
            26  O1a O    41.3592  -16.9805
            27  C8x C    37.6922  -19.0696
            28  O6a O    40.0595  -14.8919
            29  O6a O    37.6922  -14.8919
            30  C8x C    38.8991  -19.7657
BOND        32
            1    16  17 1
            2    16  18 2
            3    17  19 1
            4     6   8 1
            5     9  10 1
            6    12  14 2
            7     1   2 1
            8     1   3 1
            9     1   4 1
            10    1   5 1 #Up
            11    2   6 1
            12    2   7 2
            13    3   8 1
            14    3   9 1
            15    4  10 1
            16    6  11 2
            17    7  12 1
            18    8  13 1
            19   11  14 1
            20   12  15 1
            21   15  16 1
            22    9  20 1
            23   21  22 1
            24   21  23 2
            25   21  24 1
            26   22  25 2
            27   22  26 1
            28   23  27 1
            29   24  28 1
            30   24  29 2
            31   25  30 1
            32   27  30 2

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