KEGG   DRUG: Sotorasib
Entry
D12055                      Drug                                   
Name
Sotorasib (JAN/USAN);
Lumakras (TN)
Product
LUMAKRAS (Amgen)
Formula
C30H30F2N6O3
Exact mass
560.2347
Mol weight
560.59
Structure
Class
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
Therapeutic category: 4291
ATC code: L01XX73
Product: D12055<JP/US>
Efficacy
Antineoplastic
  Disease
Non-small cell lung cancer (KRAS G12C-mutated) [DS:H00014]
Target
KRAS* [HSA_VAR:3845v1] [HSA:3845] [KO:K07827]
  Pathway
hsa04014  Ras signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
hsa05223  Non-small cell lung cancer
  Network
nt06266  Non-small cell lung cancer
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX73 Sotorasib
      D12055  Sotorasib (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Sotorasib
    D12055  Sotorasib (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D12055  Sotorasib (JAN/USAN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   D12055  Sotorasib
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Signaling molecules
   G protein
    KRAS* [HSA_VAR:3845v1]
     D12055  Sotorasib (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D12055
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D12055
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12055
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D12055
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D12055
Other DBs
CAS: 2296729-00-3
PubChem: 497620468
ChEBI: 178199
LinkDB
KCF data

ATOM        41
            1   C8y C    14.4900  -15.4700
            2   C8y C    14.4900  -16.8700
            3   C8x C    15.7024  -17.5700
            4   C8y C    16.9149  -16.8700
            5   C8y C    16.9149  -15.4700
            6   N5x N    15.7024  -14.7700
            7   C8y C    18.1273  -17.5700
            8   N5x N    19.3397  -16.8700
            9   C8y C    19.3397  -15.4700
            10  N4y N    18.1273  -14.7700
            11  X   F    13.2776  -17.5700
            12  C8y C    13.2776  -14.7700
            13  C8y C    13.2776  -13.3702
            14  C8x C    12.0651  -12.6702
            15  C8x C    10.8527  -13.3702
            16  C8x C    10.8527  -14.7700
            17  C8y C    12.0651  -15.4700
            18  X   F    12.0651  -16.8698
            19  O1a O    14.5068  -12.6603
            20  O5x O    20.5373  -14.7785
            21  C8y C    18.1273  -12.3900
            22  C8y C    19.3418  -11.6888
            23  N5x N    19.3418  -10.2888
            24  C8x C    18.1293   -9.5888
            25  C8x C    16.9149  -10.2900
            26  C8y C    16.9149  -11.6900
            27  C1a C    15.7214  -12.3793
            28  C1c C    20.5383  -12.3798
            29  C1a C    21.7251  -11.6946
            30  C1a C    20.5384  -13.7897
            31  N1y N    18.1273  -18.9700
            32  C1x C    16.9169  -19.6688
            33  C1x C    16.9169  -21.0688
            34  N1y N    18.1293  -21.7688
            35  C1x C    19.3397  -21.0700
            36  C1y C    19.3397  -19.6700
            37  C1a C    20.5373  -18.9785
            38  C5a C    18.1293  -23.1700
            39  C2b C    19.3423  -23.8703
            40  O5a O    16.9174  -23.8697
            41  C2a C    19.3423  -25.2698
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    9  10 1
            11    5  10 1
            12    2  11 1
            13    1  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   17  18 1
            21   13  19 1
            22    9  20 2
            23   10  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   21  26 1
            30   26  27 1
            31   22  28 1
            32   28  29 1
            33   28  30 1
            34    7  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   31  36 1
            41   36  37 1
            42   34  38 1
            43   38  39 1
            44   38  40 2
            45   39  41 2

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