KEGG   DRUG: Opnurasib
Entry
D13038                      Drug                                   
Name
Opnurasib (USAN/INN)
Formula
C29H28ClN7O
Exact mass
525.2044
Mol weight
526.03
Structure
Efficacy
Antineoplastic
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]
     D13038  Opnurasib (USAN/INN)
Other DBs
CAS: 2653994-08-0
PubChem: 505917311
LinkDB
KCF data

ATOM        38
            1   C8y C     9.9400  -26.5300
            2   C8y C     9.9400  -27.9300
            3   C8y C    11.2700  -28.3500
            4   N4y N    12.1100  -27.2300
            5   N5x N    11.2700  -26.1100
            6   C8y C     8.8200  -25.6900
            7   C8x C     8.7500  -24.2900
            8   C8y C     7.5600  -23.5900
            9   C8y C     6.3700  -24.2900
            10  C8x C     6.3700  -25.7600
            11  C8x C     7.6300  -26.3900
            12  C8x C     7.2800  -22.2600
            13  N5x N     5.8800  -22.1200
            14  N4y N     5.3200  -23.3800
            15  C1a C     3.9200  -23.7300
            16  C1y C    13.5100  -27.2300
            17  C1x C    14.4900  -28.2100
            18  C1z C    15.3300  -27.2300
            19  C1x C    14.4900  -26.2500
            20  C8y C     8.8200  -28.7000
            21  C8y C     7.5600  -28.0700
            22  C8y C     6.3700  -28.7700
            23  C8x C     6.3700  -30.1700
            24  C8y C     7.5600  -30.9400
            25  C8y C     8.8200  -30.1700
            26  C8x C     7.2800  -26.7400
            27  N5x N     5.8800  -26.6000
            28  N4x N     5.3200  -27.8600
            29  X   Cl   10.0800  -30.8000
            30  C1a C     7.5600  -32.2700
            31  C1a C    11.6900  -29.6800
            32  C1x C    16.4500  -28.2100
            33  N1y N    17.4300  -27.2300
            34  C1x C    16.4500  -26.2500
            35  C5a C    18.8300  -27.2300
            36  O5a O    19.5300  -26.0400
            37  C2b C    19.5300  -28.4200
            38  C2a C    20.9300  -28.4200
BOND        44
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     1   6 1
            7     6   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12    6  11 1
            13    8  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 1
            17   14  15 1
            18    4  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   16  19 1
            23    2  20 1
            24   20  21 2
            25   21  22 1
            26   22  23 2
            27   23  24 1
            28   24  25 2
            29   20  25 1
            30   21  26 1
            31   26  27 2
            32   27  28 1
            33   22  28 1
            34   25  29 1
            35   24  30 1
            36    3  31 1
            37   18  32 1
            38   32  33 1
            39   33  34 1
            40   18  34 1
            41   33  35 1
            42   35  36 2
            43   35  37 1
            44   37  38 2

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