KEGG   DRUG: Tenidap
Entry
D06072                      Drug                                   
Name
Tenidap (USAN/INN)
Formula
C14H9ClN2O3S
Exact mass
320.0022
Mol weight
320.75
Structure
Simcomp
Remark
ATC code: M01AX23
Chemical structure group: DG00761
Efficacy
Anti-inflammatory
Comment
Treatment of osteoarthritis and rheumatoid arthritis
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AX Other antiinflammatory and antirheumatic agents, non-steroids
     M01AX23 Tenidap
      D06072  Tenidap (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D06072  Tenidap (USAN/INN)
    PTGS2 (COX2)
     D06072  Tenidap (USAN/INN)
Other DBs
CAS: 120210-48-2
PubChem: 47207730
LigandBox: D06072
NIKKAJI: J594.228D
LinkDB
KCF data

ATOM        21
            1   C8x C    29.7291  -15.4197
            2   C8y C    29.7291  -16.8131
            3   C8x C    30.9358  -17.5099
            4   C8y C    32.1427  -16.8131
            5   C8y C    32.1427  -15.4197
            6   C8x C    30.9358  -14.7229
            7   C2y C    33.4680  -17.2438
            8   C5x C    34.2871  -16.1164
            9   N1y N    33.4680  -14.9891
            10  O5x O    35.6807  -16.1164
            11  X   Cl   28.5223  -17.5099
            12  C5a C    33.4680  -13.5891
            13  N1a N    34.6783  -12.8903
            14  O5a O    32.2456  -12.8834
            15  C2c C    33.4680  -18.6438
            16  C8y C    32.2600  -19.3411
            17  O1a O    34.6641  -19.3342
            18  C8x C    32.2600  -20.7411
            19  S2x S    30.9285  -18.9085
            20  C8x C    30.1056  -20.0411
            21  C8x C    30.9285  -21.1738
BOND        23
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    8  10 2
            12    2  11 1
            13    9  12 1
            14   12  13 1
            15   12  14 2
            16    7  15 2
            17   15  16 1
            18   15  17 1
            19   16  18 2
            20   16  19 1
            21   19  20 1
            22   20  21 2
            23   18  21 1

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