KEGG   DRUG: Orpanoxin
Entry
D05275                      Drug                                   

Name
Orpanoxin (USAN/INN)
Formula
C13H11ClO4
Exact mass
266.0346
Mol weight
266.677
Structure
Efficacy
Anti-inflammatory, COX inhibitor
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D05275  Orpanoxin (USAN/INN)
    PTGS2 (COX2)
     D05275  Orpanoxin (USAN/INN)
Other DBs
CAS: 60653-25-0
PubChem: 47206984
ChEMBL: CHEMBL2107141
LigandBox: D05275
NIKKAJI: J18.380F
LinkDB
KCF data

ATOM        18
            1   C8x C    27.9131  -16.4796
            2   C8y C    27.9131  -17.8820
            3   C8x C    29.1275  -18.5831
            4   C8x C    30.3420  -17.8820
            5   C8y C    30.3420  -16.4796
            6   C8x C    29.1275  -15.7784
            7   X   Cl   26.6987  -18.5831
            8   C8y C    31.5753  -15.7674
            9   O2x O    32.7158  -16.5723
            10  C8y C    33.8305  -15.7383
            11  C8x C    33.3821  -14.4205
            12  C8x C    31.9901  -14.4398
            13  C1c C    35.0455  -16.4398
            14  C1b C    36.2605  -15.7383
            15  O1a O    35.0459  -17.8184
            16  O6a O    37.4181  -17.8336
            17  C6a C    37.4776  -16.4410
            18  O6a O    38.6653  -15.7550
BOND        19
            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     2   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13    8  12 2
            14   10  13 1
            15   13  14 1
            16   13  15 1
            17   14  17 1
            18   17  18 1
            19   17  16 2

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