KEGG   DRUG: Tenidap sodium
Entry
D06073                      Drug                                   

Name
Tenidap sodium (USAN)
Formula
C14H8ClN2O3S. Na
Exact mass
341.9842
Mol weight
342.7327
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
      D06073  Tenidap sodium (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D06073  Tenidap sodium (USAN)
    PTGS2 (COX2)
     D06073  Tenidap sodium (USAN)
Other DBs
CAS: 119784-94-0
PubChem: 47207731
ChEMBL: CHEMBL2104833
LigandBox: D06073
LinkDB
KCF data

ATOM        22
            1   C8x C    29.7500  -15.5400
            2   C8y C    29.7500  -16.9400
            3   C8x C    30.9400  -17.6400
            4   C8y C    32.1300  -16.9400
            5   C8y C    32.1300  -15.5400
            6   C8x C    30.9400  -14.8400
            7   C2y C    33.4600  -17.3600
            8   C5x C    34.3000  -16.2400
            9   N1y N    33.4600  -15.1200
            10  O5x O    35.7000  -16.2400
            11  X   Cl   28.4900  -17.6400
            12  C5a C    33.4600  -13.7200
            13  N1a N    34.6500  -13.0200
            14  O5a O    32.2700  -13.0200
            15  C2c C    33.4600  -18.7600
            16  C8y C    32.2700  -19.4600
            17  O1a O    34.6500  -19.4600 #-
            18  C8x C    32.2700  -20.8600
            19  S2x S    30.9400  -19.0400
            20  C8x C    30.1000  -20.1600
            21  C8x C    30.9400  -21.2800
            22  Z   Na   36.1900  -19.4600 #+
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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