KEGG   DRUG: Imlunestrant tosylate
Entry
D12217                      Drug                                   
Name
Imlunestrant tosylate (USAN);
Imlunestrant tosilate (JAN);
Inluriyo (TN)
Product
INLURIYO (Eli Lilly and Company)
Formula
C29H24F4N2O3. C7H8O3S
Exact mass
696.1917
Mol weight
696.71
Structure
Class
Antineoplastic
 DG01585  Estrogen receptor antagonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02924  UGT substrate
  DG03183  UGT1A1 substrate
  DG03184  UGT1A3 substrate
  DG03186  UGT1A8 substrate
  DG03188  UGT1A9 substrate
  DG03375  UGT1A10 substrate
Remark
Therapeutic category: 4291
Chemical structure group: DG03177
Product (DG03177): D12217<JP/US>
Efficacy
Antineoplastic, Estrogen receptor antagonist
  Disease
Breast cancer (ER positive, HER2 negative, ESR1 mutated) [DS:H00031]
Target
NR3A1 (ESR1) [HSA:2099] [KO:K08550]
  Pathway
hsa04081  Hormone signaling
hsa04915  Estrogen signaling pathway
hsa05200  Pathways in cancer
hsa05224  Breast cancer
  Network
nt06210  ERK signaling (cancer)
nt06214  PI3K signaling (cancer)
nt06227  Nuclear receptor signaling (cancer)
nt06270  Breast cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576], UGT1A1 [HSA:54658], UGT1A3 [HSA:54659], UGT1A8 [HSA:54576], UGT1A9 [HSA:54600], UGT1A10 [HSA:54575]
Interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D12217  Imlunestrant tosylate (USAN); Imlunestrant tosilate (JAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01585  Estrogen receptor antagonist
   DG03177  Imlunestrant
    D12217  Imlunestrant tosylate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG03177  Imlunestrant
     D12217  Imlunestrant tosylate
  DG02924  UGT substrate
   DG03183  UGT1A1 substrate
    DG03177  Imlunestrant
     D12217  Imlunestrant tosylate
   DG03184  UGT1A3 substrate
    DG03177  Imlunestrant
     D12217  Imlunestrant tosylate
   DG03186  UGT1A8 substrate
    DG03177  Imlunestrant
     D12217  Imlunestrant tosylate
   DG03188  UGT1A9 substrate
    DG03177  Imlunestrant
     D12217  Imlunestrant tosylate
   DG03375  UGT1A10 substrate
    DG03177  Imlunestrant
     D12217  Imlunestrant tosylate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A1 (ESR1)
     D12217  Imlunestrant tosylate (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D12217
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D12217
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D12217
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12217
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D12217
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D12217
Drug groups [BR:br08330]
 Antineoplastic
  DG01585  Estrogen receptor antagonist
   DG03177  Imlunestrant
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG03177  Imlunestrant
  DG02924  UGT substrate
   DG03183  UGT1A1 substrate
    DG03177  Imlunestrant
   DG03184  UGT1A3 substrate
    DG03177  Imlunestrant
   DG03186  UGT1A8 substrate
    DG03177  Imlunestrant
   DG03188  UGT1A9 substrate
    DG03177  Imlunestrant
   DG03375  UGT1A10 substrate
    DG03177  Imlunestrant
Other DBs
CAS: 2408840-41-3
PubChem: 497620630
LinkDB
KCF data

ATOM        49
            1   C8y C    17.2290  -14.7777
            2   C8y C    17.2290  -13.3770
            3   N5x N    16.0383  -12.6766
            4   C8x C    14.7777  -13.3770
            5   C8y C    14.7777  -14.7777
            6   C8y C    16.0383  -15.4780
            7   C8x C    18.4196  -15.4780
            8   C8x C    19.6802  -14.7777
            9   C8y C    19.6802  -13.3770
            10  C8x C    18.4196  -12.6766
            11  O1a O    20.8708  -12.6766
            12  C8y C    13.5871  -15.4780
            13  C8y C    13.5871  -16.8788
            14  O2x O    14.7777  -17.5791
            15  C1y C    16.0383  -16.8788
            16  C8x C    12.3964  -14.7777
            17  C8x C    11.1358  -15.4780
            18  C8y C    11.1358  -16.8788
            19  C8x C    12.3964  -17.5791
            20  C1d C     9.9452  -17.5791
            21  X   F     8.6845  -18.2795
            22  X   F    10.6455  -18.7698
            23  X   F     9.2448  -16.3885
            24  C8y C    17.2290  -17.5791
            25  C8x C    17.2290  -18.9799
            26  C8x C    18.4896  -19.6802
            27  C8y C    19.6802  -18.9799
            28  C8x C    19.6802  -17.5791
            29  C8x C    18.4896  -16.8788
            30  O2a O    20.8708  -19.6802
            31  C1b C    22.0615  -18.9799
            32  C1b C    23.2521  -19.6802
            33  N1y N    24.4427  -18.9799
            34  C1x C    25.7734  -19.3300
            35  C1y C    26.1236  -17.9994
            36  C1x C    24.7929  -17.6492
            37  C1b C    27.3842  -17.2990
            38  X   F    28.5749  -17.9994
            39  C8x C    30.5900  -16.2400
            40  C8x C    30.5900  -17.6400
            41  C8y C    31.8024  -18.3400
            42  C8x C    33.0149  -17.6400
            43  C8x C    33.0149  -16.2400
            44  C8y C    31.8024  -15.5400
            45  C1a C    31.8024  -19.7398
            46  S4a S    31.8024  -14.1402
            47  O1d O    30.4024  -14.1402
            48  O1d O    33.2024  -14.1402
            49  O1d O    31.8024  -12.7402
BOND        54
            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    9  10 2
            11    2  10 1
            12    9  11 1
            13    5  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17    6  15 1
            18   12  16 2
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   13  19 2
            23   18  20 1
            24   20  21 1
            25   20  22 1
            26   20  23 1
            27   15  24 1 #Up
            28   24  25 2
            29   25  26 1
            30   26  27 2
            31   27  28 1
            32   28  29 2
            33   24  29 1
            34   27  30 1
            35   30  31 1
            36   31  32 1
            37   32  33 1
            38   33  34 1
            39   34  35 1
            40   35  36 1
            41   33  36 1
            42   35  37 1
            43   37  38 1
            44   39  40 2
            45   40  41 1
            46   41  42 2
            47   42  43 1
            48   43  44 2
            49   39  44 1
            50   41  45 1
            51   44  46 1
            52   46  47 2
            53   46  48 2
            54   46  49 1

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