KEGG   DRUG: D02590Help
Entry
D02590                      Drug                                   

Name
Israpafant (JAN/INN)
Formula
C28H29ClN4S
Exact mass
488.1801
Mol weight
489.0747
Structure
Mol fileKCF fileDB searchJmolKegDraw
Target
platelet-activating factor (PAF) receptor antagonist [HSA:5724] [KO:K04279]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Platelet activating factor
    platelet-activating factor (PAF) receptor [HSA:5724] [KO:K04279]
     Israpafant
      D02590  Israpafant (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 
117279-73-9
PubChem: 
LigandBox: 
KCF data Show

ATOM        34
            1   C2y C    22.8596  -22.1597
            2   C8y C    22.0086  -21.0252
            3   C8y C    22.3632  -19.6778
            4   N4y N    23.6396  -19.0396
            5   N2x N    24.2778  -22.1597
            6   C8y C    24.8451  -19.6778
            7   C1y C    25.1287  -21.0961
            8   C8y C    22.1596  -23.3722
            9   C8y C    22.8596  -24.5846
            10  X   Cl   24.2778  -24.5846
            11  C8x C    20.7596  -23.3722
            12  C8x C    20.0596  -24.5846
            13  C8x C    20.7596  -25.7970
            14  C8x C    22.1596  -25.7970
            15  C1a C    26.4840  -21.4257
            16  N5x N    25.8246  -18.7286
            17  N5x N    25.2244  -17.5037
            18  C8y C    23.8740  -17.6959
            19  S2x S    21.1914  -18.9243
            20  C8y C    20.1126  -19.8059
            21  C8x C    20.6177  -21.0343
            22  C1a C    22.9048  -16.6959
            23  C1b C    18.9001  -19.1059
            24  C1b C    17.6877  -19.8059
            25  C8y C    16.4938  -19.1165
            26  C8x C    16.4938  -17.7102
            27  C8x C    15.2814  -17.0102
            28  C8y C    14.0690  -17.7102
            29  C8x C    14.0690  -19.1165
            30  C8x C    15.2814  -19.8165
            31  C1b C    12.8572  -17.0106
            32  C1c C    11.6622  -17.7007
            33  C1a C    10.4746  -17.0151
            34  C1a C    11.6622  -19.1097
BOND        38
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 2
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     1   8 1
            9     8   9 1
            10    9  10 1
            11    8  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15    9  14 2
            16    7  15 1 #Up
            17    6  16 2
            18   16  17 1
            19   17  18 2
            20    4  18 1
            21    3  19 1
            22   19  20 1
            23   20  21 2
            24    2  21 1
            25   18  22 1
            26   20  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 2
            30   26  27 1
            31   27  28 2
            32   28  29 1
            33   29  30 2
            34   25  30 1
            35   28  31 1
            36   31  32 1
            37   32  33 1
            38   32  34 1

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