KEGG   DRUG: D04501Help
Entry
D04501                      Drug                                   

Name
Ifetroban sodium (USAN)
Formula
C25H31N2O5. Na
Exact mass
462.2131
Mol weight
462.5138
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antithrombotic
Target
thromboxane A2 (TXA2) receptor antagonist [HSA:6915] [KO:K04264]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Thromboxane
    thromboxane A2 (TXA2) receptor
     Ifetroban
      D04501  Ifetroban sodium (USAN)
BRITE hierarchy
Other DBs
CAS: 
156715-37-6
PubChem: 
LigandBox: 
KCF data Show

ATOM        33
            1   C1y C    10.2900  -11.9700
            2   C1y C     8.7500  -11.4800
            3   C1x C     6.7900  -12.1100
            4   C1x C     6.7900  -13.5100
            5   C1y C     8.2600  -12.8800
            6   C1y C    10.2900  -13.3000
            7   O2x O     8.3300  -10.3600
            8   C1b C    11.4800  -12.7400
            9   C8y C    11.2700  -11.0600
            10  O2x O    12.6000  -11.0600
            11  C8x C    12.9500   -9.8000
            12  C8y C    11.9000   -9.0300
            13  N5x N    10.7800   -9.8000
            14  C5a C    11.9000   -7.7000
            15  O5a O    10.7800   -7.0000
            16  N1b N    13.0200   -7.0000
            17  C1b C    14.1400   -7.7000
            18  C1b C    15.2600   -7.0000
            19  C1b C    16.3800   -7.7000
            20  C1b C    17.5000   -7.0000
            21  C1a C    18.6200   -7.7000
            22  C8y C    12.6000  -13.5100
            23  C8x C    12.6000  -14.7700
            24  C8x C    13.7200  -15.4700
            25  C8x C    14.8400  -14.7700
            26  C8x C    14.8400  -13.5100
            27  C8y C    13.7200  -12.8100
            28  C1b C    13.7200  -11.4800
            29  C1b C    14.8400  -10.8500
            30  C6a C    15.9600  -11.4800
            31  O6a O    17.0800  -10.8500 #-
            32  O6a O    15.9600  -12.8100
            33  Z   Na   18.8912  -10.9550 #+
BOND        35
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 1
            8     7   5 1
            9     6   8 1 #Up
            10    1   9 1 #Up
            11    9  10 1
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15    9  13 2
            16   12  14 1
            17   14  15 2
            18   14  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24    8  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   22  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   30  32 2

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