KEGG   DRUG: Oxagrelate
Entry
D05278                      Drug                                   
Name
Oxagrelate (USAN/INN)
Formula
C14H16N2O4
Exact mass
276.111
Mol weight
276.2878
Structure
Efficacy
Platelet aggregation inhibitor, Phosphodiesterase inhibitor
Target
PDE [HSA:10846 27115 50940 5136 5137 5138 5139 5140 5141 5142 5143 5144 5150 5151 5153 8622] [KO:K18438 K18436 K13298 K13755 K18283 K19021 K13296 K13293 K18437]
  Pathway
hsa04024  cAMP signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE
     D05278  Oxagrelate (USAN/INN)
Other DBs
CAS: 56611-65-5
PubChem: 47206985
LigandBox: D05278
NIKKAJI: J22.278J
LinkDB
KCF data

ATOM        20
            1   C8y C    17.3600  -16.4500
            2   C8y C    17.3600  -17.8500
            3   C8y C    18.5724  -18.5500
            4   C8y C    19.7849  -17.8500
            5   C8y C    19.7849  -16.4500
            6   C8x C    18.5724  -15.7500
            7   C8y C    20.9973  -18.5500
            8   N4x N    22.2097  -17.8500
            9   N5x N    22.2097  -16.4500
            10  C8y C    20.9973  -15.7500
            11  O5x O    20.9973  -19.9500
            12  C1a C    16.1476  -15.7500
            13  C1a C    18.5724  -19.9498
            14  C1b C    20.9973  -14.3500
            15  O1a O    22.2118  -13.6488
            16  C7a C    16.1476  -18.5500
            17  O7a O    14.9521  -17.8596
            18  O6a O    16.1475  -19.9498
            19  C1b C    13.7647  -18.5451
            20  C1a C    12.5735  -17.8571
BOND        21
            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    9  10 2
            11    5  10 1
            12    7  11 2
            13    1  12 1
            14    3  13 1
            15   10  14 1
            16   14  15 1
            17    2  16 1
            18   16  17 1
            19   16  18 2
            20   17  19 1
            21   19  20 1

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