KEGG   DRUG: Sulindac
Entry
D00120                      Drug                                   
Name
Sulindac (JP18/USP/INN);
Clinoril (TN)
Product
  Generic
Formula
C20H17FO3S
Exact mass
356.0882
Mol weight
356.41
Structure
Simcomp
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01906  Anti-inflammatory drug, acetic acid derivatives
Remark
Same as: C01531
ATC code: M01AB02
Product: D00120<US>
Efficacy
Analgesic, Anti-inflammatory, COX inhibitor
Comment
Acetic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Structure map
map07219  Cyclooxygenase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AB Acetic acid derivatives and related substances
     M01AB02 Sulindac
      D00120  Sulindac (JP18/USP/INN) <US>
USP drug classification [BR:br08302]
 Analgesics
  Nonsteroidal Anti-inflammatory Drugs
   Sulindac
    D00120  Sulindac (JP18/USP/INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01906  Anti-inflammatory drug, acetic acid derivatives
    D00120  Sulindac
Drug classes [BR:br08332]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   D00120  Sulindac
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D00120  Sulindac (JP18/USP/INN) <US>
    PTGS2 (COX2)
     D00120  Sulindac (JP18/USP/INN) <US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00120  Sulindac
Other DBs
CAS: 38194-50-2
PubChem: 7847188
ChEBI: 9352
LigandBox: D00120
NIKKAJI: J3.501G
LinkDB
KCF data

ATOM        25
            1   C8y C    21.4726  -14.1927
            2   C8y C    21.4726  -12.8437
            3   C2y C    22.6354  -14.8905
            4   C8x C    20.2632  -14.8905
            5   C2y C    23.8449  -12.8437
            6   C8x C    20.2632  -12.1460
            7   C2y C    23.8449  -14.1927
            8   C2b C    22.6354  -16.2394
            9   C8x C    19.1003  -14.1927
            10  C8y C    19.1003  -12.8437
            11  C1a C    24.9378  -14.9605
            12  C8y C    21.4726  -16.9371
            13  X   F    17.9374  -12.1460
            14  C8x C    21.4726  -18.2860
            15  C8x C    20.3097  -16.2394
            16  C8x C    20.3097  -18.9373
            17  C8x C    19.1468  -16.9371
            18  C8y C    19.1468  -18.2860
            19  S4a S    17.9840  -18.9373
            20  C1a C    16.8210  -18.2395
            21  O3c O    17.9840  -20.4962
            22  C1b C    25.0421  -12.1357
            23  C6a C    26.2621  -12.8232
            24  O6a O    27.4570  -12.1165
            25  O6a O    26.2769  -14.2361
BOND        27
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     6  10 2
            10    7  11 1
            11    8  12 1
            12   10  13 1
            13   12  14 2
            14   12  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18   18  19 1
            19   19  20 1
            20   19  21 2
            21    5   7 2
            22    9  10 1
            23   17  18 1
            24    5  22 1
            25   22  23 1
            26   23  24 1
            27   23  25 2

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