KEGG   DRUG: Milvexian
Entry
D11802                      Drug                                   
Name
Milvexian (USAN)
Formula
C28H23Cl2F2N9O2
Exact mass
625.132
Mol weight
626.4441
Structure
Efficacy
Antithrombotic, Factor XIa inhibitor
Comment
Prevention and treatment of thromboembolic disorders
Target
F11 [HSA:2160] [KO:K01323]
  Pathway
hsa04610  Complement and coagulation cascades
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Organismal systems
   Complement and coagulation
    F11
     D11802  Milvexian (USAN)
Other DBs
CAS: 1802425-99-5
PubChem: 405226668
PDB-CCD: YXG[PDBj]
LinkDB
KCF data

ATOM        43
            1   C8y C    19.5300  -12.4600
            2   C8x C    19.5300  -13.8600
            3   N1x N    21.9549  -13.8600
            4   C8y C    21.9549  -12.4600
            5   C8y C    20.7424  -11.7600
            6   C8y C    18.3176  -14.5600
            7   C1y C    18.3176  -15.9600
            8   C1x C    19.5300  -16.6600
            9   C1x C    20.7424  -15.9600
            10  C1x C    21.9549  -16.6600
            11  C1y C    23.1673  -15.9600
            12  C5x C    23.1673  -14.5600
            13  C8x C    22.9953  -11.5232
            14  N5x N    22.4259  -10.2442
            15  N4y N    21.0335  -10.3906
            16  C1c C    20.0666   -9.3165
            17  C8x C    18.3176  -11.7600
            18  C8x C    17.1051  -12.4600
            19  N5x N    17.1051  -13.8600
            20  O5x O    24.3818  -13.8588
            21  C1a C    24.3818  -16.6612
            22  N4y N    17.1221  -16.6504
            23  C8y C    15.9347  -15.9649
            24  C8x C    14.7223  -16.6650
            25  C8y C    14.7224  -18.0650
            26  N5x N    15.9097  -18.7504
            27  C8x C    17.1221  -18.0504
            28  O5x O    15.9346  -14.5602
            29  C8y C    13.4955  -18.7736
            30  C8y C    12.2881  -18.0766
            31  C8x C    11.0757  -18.7768
            32  C8x C    11.0759  -20.1768
            33  C8y C    12.2833  -20.8737
            34  C8x C    13.4956  -20.1736
            35  X   Cl   12.2831  -22.2596
            36  N4y N    12.2876  -16.6604
            37  C8x C    13.4410  -15.8213
            38  C8y C    12.9994  -14.4651
            39  N5x N    11.5731  -14.4659
            40  N5x N    11.1332  -15.8227
            41  X   Cl   13.8168  -13.3389
            42  X   F    18.7209   -9.6024
            43  X   F    20.5033   -7.9724
BOND        48
            1     1   2 2
            2     3   4 1
            3     4   5 2
            4     1   5 1
            5     2   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    3  12 1
            13    4  13 1
            14   13  14 2
            15   14  15 1
            16    5  15 1
            17   15  16 1
            18    1  17 1
            19   17  18 2
            20   18  19 1
            21    6  19 2
            22   12  20 2
            23   11  21 1 #Down
            24    7  22 1 #Down
            25   22  23 1
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   22  27 1
            31   23  28 2
            32   25  29 1
            33   29  30 2
            34   30  31 1
            35   31  32 2
            36   32  33 1
            37   33  34 2
            38   29  34 1
            39   33  35 1
            40   30  36 1
            41   36  37 1
            42   37  38 2
            43   38  39 1
            44   39  40 2
            45   36  40 1
            46   38  41 1
            47   16  42 1
            48   16  43 1

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