KEGG   DRUG: Choline salicylate
Entry
D00810                      Drug                                   

Name
Choline salicylate (JAN/USAN/INN);
Arthropan (TN)
Formula
C7H5O3. C5H14NO
Exact mass
241.1314
Mol weight
241.2836
Structure
Class
Anti-inflammatory
 DG01909  Anti-inflammatory drug, salicylic acid derivatives
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01909  Anti-inflammatory drug, salicylic acid derivatives
Remark
ATC code: N02BA03
Efficacy
Analgesic, Anti-inflammatory, COX inhibitor
Comment
Salicylic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02B OTHER ANALGESICS AND ANTIPYRETICS
    N02BA Salicylic acid and derivatives
     N02BA03 Choline salicylate
      D00810  Choline salicylate (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D00810  Choline salicylate (JAN/USAN/INN)
    PTGS2 (COX2)
     D00810  Choline salicylate (JAN/USAN/INN)
Other DBs
CAS: 2016-36-6
PubChem: 7847875
ChEBI: 3668
ChEMBL: CHEMBL2104095
LigandBox: D00810
NIKKAJI: J220.091K
LinkDB
KCF data

ATOM        17
            1   C8y C    22.3307  -15.6391
            2   C8y C    23.5378  -16.3332
            3   C8x C    21.1118  -16.3332
            4   C6a C    22.3365  -14.2337
            5   C8x C    23.5378  -17.7386
            6   O1a O    24.7509  -15.6391
            7   C8x C    21.1118  -17.7386
            8   O6a O    21.1176  -13.5279
            9   O6a O    23.5437  -13.5338 #-
            10  C8x C    22.3307  -18.4442
            11  C1a C    28.0702  -16.1704
            12  N1d N    29.2826  -15.4703 #+
            13  C1b C    30.4951  -16.1704
            14  C1b C    31.7076  -15.4703
            15  O1a O    32.9200  -16.1704
            16  C1a C    29.2826  -14.0705
            17  C1a C    29.2826  -16.8704
BOND        16
            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     4   9 1
            9     5  10 2
            10    7  10 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   12  16 1
            16   12  17 1

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