KEGG   DRUG: Xevinapant
Entry
D12565                      Drug                                   
Name
Xevinapant (JAN/USAN/INN)
Formula
C32H43N5O4
Exact mass
561.3315
Mol weight
561.71
Structure
Efficacy
Antineoplastic, SMAC mimetic
Target
DIABLO (SMAC) [HSA:56616] [KO:K10522]
  Pathway
hsa04210  Apoptosis
hsa04215  Apoptosis - multiple species
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Ubiquitin system
    DIABLO (SMAC)
     D12565  Xevinapant (JAN/USAN/INN)
Other DBs
CAS: 1071992-99-8
PubChem: 497620978
LinkDB
KCF data

ATOM        41
            1   C1y C    16.3673  -15.2914
            2   C5x C    17.7772  -15.2914
            3   N1y N    18.7642  -16.2784
            4   C1y C    18.7642  -17.6883
            5   C1x C    17.7772  -18.6753
            6   C1x C    16.3673  -18.6753
            7   N1y N    15.3803  -17.6883
            8   C1x C    15.3803  -16.2784
            9   C1x C    20.1036  -18.1113
            10  C1x C    20.9496  -16.9834
            11  C1y C    20.1036  -15.8554
            12  C5a C    20.5266  -14.5160
            13  N1b N    21.9366  -14.2340
            14  O5a O    19.6102  -13.4585
            15  C1c C    23.1350  -14.9389
            16  C8y C    24.3335  -14.2340
            17  C8y C    23.1350  -16.3489
            18  C8x C    21.9366  -17.0539
            19  C8x C    21.9366  -18.4638
            20  C8x C    23.1350  -19.1688
            21  C8x C    24.3335  -18.4638
            22  C8x C    24.3335  -17.0539
            23  C8x C    25.5319  -14.9389
            24  C8x C    26.7304  -14.2340
            25  C8x C    26.7304  -12.8240
            26  C8x C    25.5319  -12.1191
            27  C8x C    24.3335  -12.8240
            28  O5x O    18.3412  -14.0225
            29  C1b C    12.9834  -17.6883
            30  C5a C    14.1819  -18.3933
            31  O5a O    14.1819  -19.8033
            32  C1c C    11.7850  -18.3933
            33  C1a C    10.5865  -17.6883
            34  C1a C    11.7850  -19.8033
            35  N1b N    15.1688  -14.5865
            36  C5a C    13.9704  -15.2914
            37  C1c C    12.7719  -14.5865
            38  O5a O    13.9704  -16.7014
            39  C1a C    11.5735  -15.2914
            40  N1b N    12.7719  -13.1765
            41  C1a C    11.5735  -12.4715
BOND        44
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   1 1
            9     4   9 1
            10    9  10 1
            11   10  11 1
            12    3  11 1
            13   11  12 1 #Down
            14   12  13 1
            15   12  14 2
            16   13  15 1
            17   15  16 1
            18   15  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   16  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   16  27 1
            31    2  28 2
            32   29  30 1
            33   30   7 1
            34   30  31 2
            35   29  32 1
            36   32  33 1
            37   32  34 1
            38    1  35 1 #Down
            39   35  36 1
            40   36  37 1
            41   36  38 2
            42   37  39 1
            43   37  40 1 #Down
            44   40  41 1

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