KEGG   DRUG: Zidometacin
Entry
D06364                      Drug                                   

Name
Zidometacin (USAN/INN)
Formula
C19H16N4O4
Exact mass
364.1172
Mol weight
364.3547
Structure
Simcomp
Class
Anti-inflammatory
 DG01906  Anti-inflammatory drug, acetic acid derivatives
  DG01899  Anti-inflammatory drug, indoleacetic acid derivatives
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01906  Anti-inflammatory drug, acetic acid derivatives
   DG01899  Anti-inflammatory drug, indoleacetic acid derivatives
Efficacy
Anti-inflammatory, COX inhibitor
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D06364  Zidometacin (USAN/INN)
    PTGS2 (COX2)
     D06364  Zidometacin (USAN/INN)
Other DBs
CAS: 62851-43-8
PubChem: 47208021
ChEMBL: CHEMBL2107615
LigandBox: D06364
NIKKAJI: J19.701G
LinkDB
KCF data

ATOM        27
            1   C8y C    29.1900  -19.1100
            2   C8y C    29.1900  -20.5800
            3   C1a C    30.4500  -21.2800
            4   C6a C    31.7800  -19.1100
            5   C1b C    30.4500  -18.3400
            6   C8y C    26.8800  -20.4400
            7   C8y C    26.8800  -19.1100
            8   N4y N    28.0000  -21.1400
            9   C8x C    25.6900  -21.0700
            10  C8x C    25.6900  -18.4100
            11  C5a C    28.0000  -22.4700
            12  C8x C    24.5000  -20.4400
            13  C8y C    24.5000  -19.1100
            14  C8y C    27.2300  -22.9600
            15  O2a O    23.3100  -18.4100
            16  C8x C    26.0400  -22.1900
            17  C8x C    27.1600  -24.2900
            18  C1a C    22.1900  -19.1100
            19  C8x C    24.8500  -22.8900
            20  C8x C    25.9700  -24.9200
            21  C8y C    24.8500  -24.2200
            22  N2b N    23.6600  -24.7800
            23  O6a O    33.0400  -18.3400
            24  O6a O    31.7800  -20.5800
            25  O5a O    29.2600  -23.1000
            26  N0  N    22.0977  -25.6323 #+
            27  N2a N    20.5354  -26.5547 #-
BOND        29
            1     2   3 1
            2     6   7 2
            3     6   8 1
            4     6   9 1
            5     7   1 1
            6     7  10 1
            7     8   2 1
            8     8  11 1
            9     9  12 2
            10   10  13 2
            11   11  14 1
            12   13  15 1
            13   14  16 2
            14   14  17 1
            15   15  18 1
            16   16  19 1
            17   17  20 2
            18   19  21 2
            19   21  22 1
            20   12  13 1
            21   20  21 1
            22    4   5 1
            23    4  23 1
            24    5   1 1
            25    4  24 2
            26    1   2 2
            27   11  25 2
            28   22  26 2
            29   26  27 2

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