KEGG   DRUG: D04500Help
Entry
D04500                      Drug                                   

Name
Ifetroban (USAN/INN)
Formula
C25H32N2O5
Exact mass
440.2311
Mol weight
440.532
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
      D04500  Ifetroban (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
143443-90-7
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        32
            1   C1y C     9.6600   -9.5900
            2   C1y C     8.0500   -9.1000
            3   C1x C     5.9500   -9.7300
            4   C1x C     5.9500  -11.2000
            5   C1y C     7.4900  -10.5700
            6   C1y C     9.6600  -10.9900
            7   O2x O     7.5600   -7.9100
            8   C1b C    10.9200  -10.4300
            9   C8y C    10.7100   -8.6100
            10  O2x O    12.1100   -8.6100
            11  C8x C    12.5300   -7.2800
            12  C8y C    11.4100   -6.4400
            13  N5x N    10.2200   -7.2800
            14  C5a C    11.4100   -5.0400
            15  O5a O    10.2200   -4.3400
            16  N1b N    12.6000   -4.3400
            17  C1b C    13.7900   -5.0400
            18  C1b C    14.9800   -4.3400
            19  C1b C    16.1700   -5.0400
            20  C1b C    17.3600   -4.3400
            21  C1a C    18.5500   -5.0400
            22  C8y C    12.1100  -11.2000
            23  C8x C    12.1100  -12.6000
            24  C8x C    13.3000  -13.3000
            25  C8x C    14.4900  -12.6000
            26  C8x C    14.4900  -11.2000
            27  C8y C    13.3000  -10.5000
            28  C1b C    13.3000   -9.1000
            29  C1b C    14.4900   -8.4000
            30  C6a C    15.6800   -9.1000
            31  O6a O    16.8700   -8.4000
            32  O6a O    15.6800  -10.5000
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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