KEGG   DRUG: Icatibant acetateHelp
Entry
D04492                      Drug                                   

Name
Icatibant acetate (JAN/USAN);
Firazyr (TN)
Product
Formula
C59H89N19O13S. (C2H4O2)x
Structure
Mol fileKCF fileDB search
Remark
Therapeutic category: 4490
ATC code: B06AC02
Product: D04492<JP/US>
Efficacy
Antiangioedema, Bradykinin receptor antagonist
  Disease
Hereditary angioedema [DS:H01006]
Target
BDKRB2 [HSA:624] [KO:K03916]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04610  Complement and coagulation cascades
hsa04750  Inflammatory mediator regulation of TRP channels
hsa04810  Regulation of actin cytoskeleton
hsa04961  Endocrine and other factor-regulated calcium reabsorption
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B06 OTHER HEMATOLOGICAL AGENTS
   B06A OTHER HEMATOLOGICAL AGENTS
    B06AC Drugs used in hereditary angioedema
     B06AC02 Icatibant
      D04492  Icatibant acetate (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Immunological Agents
  Angioedema Agents
   Icatibant
    D04492  Icatibant acetate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   449  Miscellaneous
    4490  Miscellaneous
     D04492  Icatibant acetate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Bradykinin
    BDKRB2
     D04492  Icatibant acetate (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D04492
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D04492
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04492
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04492
BRITE hierarchy
Other DBs
CAS: 138614-30-9
PubChem: 47206340
ChEBI: 68564
ChEMBL: CHEMBL2028852
LigandBox: D04492
LinkDB All DBs
KCF data Show

ATOM        96
            1   C1a C    51.4861  -17.2259
            2   C6a C    52.6784  -16.5245
            3   O6a O    53.9409  -17.2259
            4   O6a O    52.6784  -15.1218
            5   N1y N    32.5493  -15.1919
            6   C5a C    33.8118  -14.4906
            7   C1c C    35.0041  -15.1919
            8   N1b N    36.1964  -14.4906
            9   C5a C    37.4589  -15.1919
            10  C1c C    38.6512  -14.4906
            11  C1b C    39.8435  -15.1919
            12  C1b C    41.1060  -14.4906
            13  C1b C    42.2983  -15.1919
            14  N1b N    43.4906  -14.4906
            15  C2c C    44.7530  -15.1919
            16  N1a N    45.9454  -14.4906
            17  N2a N    44.7530  -16.5947
            18  N1a N    38.6512  -13.0879
            19  O5a O    37.4589  -16.5947
            20  C1b C    35.0041  -16.5947
            21  O5a O    33.8118  -13.0879
            22  C1y C    31.2869  -14.6308
            23  C1x C    30.3050  -15.6829
            24  C1x C    31.0064  -16.8752
            25  C1x C    32.4090  -16.5947
            26  C5a C    31.0064  -13.2281
            27  N1y N    29.6737  -12.8073
            28  O5a O    32.0584  -12.3164
            29  C1x C    29.2530  -11.4747
            30  C1y C    27.7801  -11.4747
            31  C1x C    27.3593  -12.8073
            32  C1y C    28.4814  -13.6490
            33  C5a C    28.4814  -15.0516
            34  O1a O    26.9385  -10.3525
            35  N1b N    27.2891  -15.7530
            36  C1b C    26.0968  -15.0516
            37  C5a C    24.9045  -15.7530
            38  N1b N    23.7122  -15.0516
            39  C1c C    22.5199  -15.7530
            40  O5a O    29.6737  -15.7530
            41  O5a O    24.9045  -17.1558
            42  C5a C    21.3276  -15.0516
            43  C1b C    22.5199  -17.1558
            44  C8y C    21.3276  -17.8571
            45  C8x C    20.0651  -17.2961
            46  C8x C    19.1533  -18.2779
            47  C8x C    19.7845  -19.4702
            48  S2x S    21.1873  -19.1898
            49  N1b N    20.1352  -15.7530
            50  O5a O    21.3276  -13.6490
            51  C1c C    18.9429  -15.0516
            52  C5a C    17.7506  -15.7530
            53  C1b C    18.9429  -13.6490
            54  N1y N    16.5583  -15.0516
            55  O5a O    17.7506  -17.1558
            56  O1a O    17.7506  -12.9476
            57  C1x C    16.5583  -13.6490
            58  C8y C    15.2958  -12.9476
            59  C8y C    14.1035  -13.6490
            60  C1x C    14.1035  -15.0516
            61  C1y C    15.2958  -15.7530
            62  C8x C    15.2958  -11.5448
            63  C8x C    14.1035  -10.8435
            64  C8x C    12.9112  -11.5448
            65  C8x C    12.9112  -12.9476
            66  C5a C    15.2958  -17.1558
            67  N1y N    14.1035  -17.8571
            68  O5a O    16.4882  -17.8571
            69  C1y C    12.7008  -17.8571
            70  C1x C    12.2800  -19.1898
            71  C1y C    13.4021  -20.0313
            72  C1y C    14.5243  -19.1898
            73  C5a C    11.4860  -17.1558
            74  N1b N    10.2711  -17.8571
            75  C1c C     9.0564  -17.1558
            76  C1b C     7.8416  -17.8571
            77  C1b C     6.6268  -17.1558
            78  C1b C     5.4120  -17.8571
            79  N1b N     4.1972  -17.1558
            80  C2c C     2.9824  -17.8571
            81  C1x C    13.5700  -21.4240
            82  C1x C    14.8598  -21.9750
            83  C1x C    15.9821  -21.1334
            84  C1x C    15.8143  -19.7407
            85  O5a O    11.4860  -15.7532
            86  C6a C     9.0564  -15.7530
            87  O6a O     7.8395  -15.0504
            88  O6a O    10.2691  -15.0528
            89  N1a N     1.7449  -17.1423
            90  N2a N     2.9822  -19.2595
            91  C1b C    33.7886  -17.2965
            92  C1b C    33.7886  -18.6962
            93  N1b N    32.5931  -19.3864
            94  C2c C    32.5931  -20.7862
            95  N1a N    31.3977  -21.4765
            96  N2a N    33.8196  -21.4945
BOND        101
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     5   6 1
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   15  17 2
            16   10  18 1 #Down
            17    9  19 2
            18    7  20 1 #Up
            19    6  21 2
            20    5  22 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24    5  25 1
            25   22  26 1 #Up
            26   26  27 1
            27   26  28 2
            28   27  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   27  32 1
            33   32  33 1 #Down
            34   30  34 1 #Up
            35   33  35 1
            36   35  36 1
            37   36  37 1
            38   37  38 1
            39   38  39 1
            40   33  40 2
            41   37  41 2
            42   39  42 1
            43   39  43 1 #Up
            44   43  44 1
            45   44  45 2
            46   45  46 1
            47   46  47 2
            48   47  48 1
            49   44  48 1
            50   42  49 1
            51   42  50 2
            52   49  51 1
            53   51  52 1
            54   51  53 1 #Down
            55   52  54 1
            56   52  55 2
            57   53  56 1
            58   54  57 1
            59   57  58 1
            60   58  59 1
            61   59  60 1
            62   60  61 1
            63   54  61 1
            64   58  62 2
            65   62  63 1
            66   63  64 2
            67   64  65 1
            68   59  65 2
            69   61  66 1 #Up
            70   66  67 1
            71   66  68 2
            72   67  69 1
            73   69  70 1
            74   70  71 1
            75   71  72 1
            76   67  72 1
            77   69  73 1
            78   73  74 1
            79   74  75 1
            80   75  76 1
            81   76  77 1
            82   77  78 1
            83   78  79 1
            84   79  80 1
            85   71  81 1
            86   81  82 1
            87   82  83 1
            88   83  84 1
            89   72  84 1
            90   73  85 2
            91   75  86 1 #Up
            92   86  87 1
            93   86  88 2
            94   80  89 1
            95   80  90 2
            96   20  91 1
            97   91  92 1
            98   92  93 1
            99   93  94 1
            100  94  95 1
            101  94  96 2
BRACKET     1    49.2100  -18.2700   49.2100  -14.0700
            1    55.4400  -14.0700   55.4400  -18.2700
            1  x
 ORIGINAL  1    1   2   3   4
 REPEAT    1

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