KEGG   DRUG: Elironrasib
Entry
D13266                      Drug                                   
Name
Elironrasib (USAN/INN)
Formula
C55H78FN9O8
Exact mass
1011.5957
Mol weight
1012.26
Structure
Efficacy
Antineoplastic
Comment
Treatment of patients with advanced solid tumors harboring RAS G12C mutations
Target
KRAS* [HSA_VAR:3845v1] [HSA:3845] [KO:K07827]
  Pathway
hsa04014  Ras signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Environmental information processing
   G protein
    KRAS* [HSA_VAR:3845v1]
     D13266  Elironrasib (USAN/INN)
Other DBs
CAS: 2641998-63-0
PubChem: 527701169
LinkDB
KCF data

ATOM        73
            1   C8y C    16.7300  -18.4100
            2   C8y C    16.7300  -19.8100
            3   C8x C    17.9200  -20.5100
            4   C8x C    19.1800  -19.8100
            5   C8y C    19.1800  -18.4100
            6   C8x C    17.9200  -17.7100
            7   C8y C    15.4000  -17.9900
            8   C8y C    14.5600  -19.1100
            9   N4y N    15.4000  -20.2300
            10  C8y C    13.1600  -19.1100
            11  C8x C    12.4600  -17.9200
            12  C8x C    11.0600  -17.9200
            13  C8x C    10.3600  -19.1100
            14  N5x N    11.0600  -20.3000
            15  C8y C    12.4600  -20.3000
            16  C1y C    21.5600  -15.6100
            17  C1x C    21.5600  -14.2100
            18  C1y C    22.7500  -13.5100
            19  C5x C    22.7500  -12.1100
            20  O5x O    23.9400  -11.4100
            21  N1y N    21.5600  -11.4100
            22  C1x C    21.5600  -10.0100
            23  C1x C    20.3000   -9.3100
            24  C1x C    19.1100  -10.0100
            25  C1y C    19.1100  -11.4100
            26  N1x N    20.3000  -12.1100
            27  C7x C    17.9200  -12.1100
            28  O6a O    16.7300  -11.4100
            29  O7x O    17.9200  -13.5100
            30  C1x C    16.7300  -14.2100
            31  C1z C    16.7300  -15.6100
            32  C1x C    15.4000  -16.3100
            33  C1a C    16.7300  -17.0100
            34  C1a C    18.1300  -15.6100
            35  N1b N    23.9400  -14.2100
            36  C5a C    25.1300  -13.5100
            37  O5a O    25.1300  -12.1100
            38  C1b C    15.4000  -21.6300
            39  C1a C    16.5900  -22.3300
            40  C1c C    26.3200  -14.2100
            41  C1x C    20.3700  -16.3100
            42  N1y N    20.3700  -17.7100
            43  C1x C    21.5600  -18.4100
            44  C1x C    22.8200  -17.7100
            45  O2x O    22.8200  -16.3100
            46  C1c C    13.1600  -21.4900
            47  C1a C    14.5600  -21.4900
            48  O2a O    12.4600  -22.6800
            49  C1a C    11.0600  -22.6800
            50  N1c N    27.5100  -13.5100
            51  C1c C    26.3200  -15.6100
            52  C1a C    25.1300  -16.3100
            53  C1a C    27.5100  -16.3100
            54  C5a C    28.7000  -14.2100
            55  C1a C    27.5800  -12.1100
            56  C1z C    29.8900  -13.5100
            57  O5a O    28.7000  -15.6100
            58  C1x C    31.0800  -14.2100
            59  C1x C    32.3400  -13.5100
            60  N1y N    32.3400  -12.1100
            61  C1x C    31.1500  -11.4100
            62  C1x C    29.8900  -12.1100
            63  X   F    29.8900  -14.9100
            64  C5a C    33.5300  -11.4100
            65  C3b C    34.7200  -12.1100
            66  O5a O    33.5300  -10.0100
            67  C3b C    35.9800  -12.8100
            68  C1d C    37.1924  -13.5100
            69  C1a C    36.4924  -14.7224
            70  C1a C    37.8924  -12.2976
            71  N1c N    38.4014  -14.1760
            72  C1a C    39.6047  -13.4484
            73  C1a C    38.4297  -15.6100
BOND        79
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    2   9 1
            11    8  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18   16  17 1 #Down
            19   17  18 1
            20   18  19 1
            21   19  20 2
            22   19  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   21  26 1
            29   25  27 1 #Down
            30   27  28 2
            31   27  29 1
            32   29  30 1
            33   30  31 1
            34   31  32 1
            35   32   7 1
            36   31  33 1
            37   31  34 1
            38   18  35 1 #Up
            39   35  36 1
            40   36  37 2
            41    9  38 1
            42   38  39 1
            43   36  40 1
            44   41  42 1
            45   42  43 1
            46   43  44 1
            47   44  45 1
            48   45  16 1
            49   41  16 1
            50   42   5 1
            51   15  46 1
            52   46  47 1 #Down
            53   46  48 1
            54   48  49 1
            55   40  50 1
            56   40  51 1 #Up
            57   51  52 1
            58   51  53 1
            59   50  54 1
            60   50  55 1
            61   54  56 1
            62   54  57 2
            63   56  58 1
            64   58  59 1
            65   59  60 1
            66   60  61 1
            67   61  62 1
            68   56  62 1
            69   56  63 1
            70   60  64 1
            71   64  65 1
            72   64  66 2
            73   65  67 3
            74   67  68 1
            75   68  69 1
            76   68  70 1
            77   68  71 1
            78   71  72 1
            79   71  73 1

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