KEGG   DRUG: Vemircopan
Entry
D12481                      Drug                                   
Name
Vemircopan (USAN/INN)
Formula
C29H28BrN7O3
Exact mass
601.1437
Mol weight
602.48
Structure
Efficacy
Complement factor D inhibitor
Comment
Treatment of immune-complement diseases including paroxysmal nocturnal hemoglobinuria
Target
CFD [HSA:1675] [KO:K01334]
  Pathway
hsa04610  Complement and coagulation cascades
Brite
Target-based classification of drugs [BR:br08310]
 Peptidases and inhibitors
  Serine peptidases
   Chymotrypsin family
    CFD
     D12481  Vemircopan (USAN/INN)
Other DBs
CAS: 2086178-00-7
PubChem: 497620894
LinkDB
KCF data

ATOM        40
            1   C8x C    11.2700  -22.8900
            2   C8y C    11.2700  -24.2900
            3   C8x C    12.4600  -24.9900
            4   C8y C    13.7200  -24.2900
            5   C8y C    13.7200  -22.8900
            6   C8x C    12.4600  -22.1900
            7   C8y C    15.0500  -24.7100
            8   N5x N    15.8200  -23.5900
            9   N4y N    15.0500  -22.4700
            10  C5a C    15.4700  -26.0400
            11  C1a C    16.8700  -26.3200
            12  O5a O    14.5600  -27.0900
            13  C8y C    10.0800  -24.9900
            14  C8x C     8.8900  -24.2900
            15  N5x N     7.6300  -24.9900
            16  C8y C     7.6300  -26.3900
            17  N5x N     8.8200  -27.0900
            18  C8x C    10.0800  -26.3900
            19  C1a C     6.4400  -27.0900
            20  C1b C    15.4700  -21.1400
            21  C5a C    16.8700  -20.8600
            22  N1y N    17.7800  -21.9100
            23  O5a O    17.2900  -19.5300
            24  C1y C    17.5000  -23.3100
            25  C1z C    18.7600  -24.0100
            26  C1x C    19.7400  -23.0300
            27  C1y C    19.1800  -21.7700
            28  C8y C    22.7500  -19.6700
            29  C8y C    22.7500  -21.0700
            30  N5x N    23.9400  -21.7700
            31  C8y C    25.2000  -21.0700
            32  C8x C    25.2000  -19.6700
            33  C8x C    23.9400  -18.9700
            34  X   Br   26.3900  -21.7700
            35  N1b N    21.5600  -21.7700
            36  C5a C    20.3700  -21.0700
            37  O5a O    20.3700  -19.6700
            38  C1a C    21.5600  -18.9700
            39  C1x C    17.5476  -24.7100
            40  C1a C    19.9724  -24.7100
BOND        45
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    7  10 1
            12   10  11 1
            13   10  12 2
            14    2  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   16  19 1
            22    9  20 1
            23   20  21 1
            24   21  22 1
            25   21  23 2
            26   22  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   22  27 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   31  32 1
            35   32  33 2
            36   28  33 1
            37   31  34 1
            38   29  35 1
            39   35  36 1
            40   27  36 1 #Down
            41   36  37 2
            42   28  38 1
            43   25  39 1
            44   24  39 1
            45   25  40 1 #Down

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