KEGG   DRUG: Everolimus
Entry
D02714                      Drug                                   

Name
Everolimus (JAN/USAN/INN);
Afinitor (TN);
Votubia (TN);
Zortress (TN)
Product
  Generic
Formula
C53H83NO14
Exact mass
957.5814
Mol weight
958.2244
Structure
Simcomp
Class
Antineoplastic
 DG01597  mTOR inhibitor
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Transporter substrate
 DG01665  ABCB1 (P-GP) substrate
Remark
Therapeutic category: 3999 4291
ATC code: L01XE10 L04AA18
Product: D02714<JP/US>
Efficacy
Antineoplastic, Immunosuppressant, mTOR inhibitor
  Disease
Breast cancer (HR positive, HER2 negative) [DS:H00031]
Pancreatic neuroendocrine tumor [DS:H00045]
Renal cell carcinoma [DS:H00021]
Tuberous sclerosis complex-associated renal angiomyolipoma [DS:H01691]
Tuberous sclerosis complex-associated subependymal giant cell astrocytoma [DS:H01692]
Organ rejection in kidney transplantation [DS:H00083]
Organ rejection in liver transplantation [DS:H00083]
Comment
Rapamycin derivative
Target
MTOR [HSA:2475] [KO:K07203]
  Pathway
hsa04012  ErbB signaling pathway
hsa04150  mTOR signaling pathway
hsa05200  Pathways in cancer
hsa05224  Breast cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243]
Interaction
Structure map
map07042  Antineoplastics - agents from natural products
map07045  Antineoplastics - protein kinase inhibitors
map07046  Immunosuppressive agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE10 Everolimus
      D02714  Everolimus (JAN/USAN/INN) <JP/US>
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AA Selective immunosuppressants
     L04AA18 Everolimus
      D02714  Everolimus (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Everolimus
    D02714  Everolimus (JAN/USAN/INN)
 Immunological Agents
  Immunosuppressants
   mTOR Inhibitors
    Everolimus
     D02714  Everolimus (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D02714  Everolimus (JAN/USAN/INN)
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D02714  Everolimus (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   Other
    MTOR
     D02714  Everolimus (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D02714
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D02714
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D02714
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D02714
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02714
 Drug transporters
  D02714
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D02714
Other DBs
CAS: 159351-69-6
PubChem: 17396881
ChEBI: 68478
ChEMBL: CHEMBL1908360
LigandBox: D02714
LinkDB
KCF data

ATOM        68
            1   N1y N    28.0564  -21.8335
            2   C1y C    29.2458  -21.1339
            3   C5a C    28.0564  -23.2326
            4   C1x C    26.7971  -21.1339
            5   C7a C    30.4350  -21.8335
            6   C1x C    29.2458  -19.7348
            7   C5a C    26.7971  -23.9323
            8   O5a O    29.2458  -23.9323
            9   C1x C    26.7971  -19.7348
            10  O7a O    31.6243  -21.1339
            11  O6a O    30.4350  -22.9530
            12  C1x C    28.0564  -18.9652
            13  C1z C    26.7971  -25.3315
            14  O5a O    25.6079  -23.1628
            15  C1c C    32.8836  -21.8335
            16  O2x O    27.9864  -26.0311
            17  C1y C    25.5378  -26.0311
            18  O1a O    26.7971  -26.7307
            19  C1c C    34.0729  -21.1339
            20  C1b C    32.8836  -23.2326
            21  C1y C    27.9864  -27.4303
            22  C1x C    25.5378  -27.3603
            23  C1a C    24.3486  -25.2615
            24  C1b C    35.3321  -21.8335
            25  C1a C    34.0729  -19.7348
            26  C5a C    34.0729  -23.9323
            27  C1b C    29.1758  -28.1299
            28  C1x C    26.7971  -28.1299
            29  C1y C    36.5215  -21.1339
            30  C1c C    34.0729  -25.3315
            31  O5a O    35.3321  -23.1628
            32  C1c C    29.1758  -29.5291
            33  C1x C    37.7108  -21.8335
            34  C1x C    36.5215  -19.7348
            35  C2b C    35.3321  -26.0311
            36  C1a C    32.8836  -26.0311
            37  C2c C    30.3650  -30.2287
            38  O2a O    27.9864  -30.2287
            39  C1y C    38.9001  -21.1339
            40  C1x C    37.7108  -19.0352
            41  C2c C    35.3321  -27.3603
            42  C2b C    30.3650  -31.6279
            43  C1a C    31.6243  -29.5291
            44  C1a C    27.9864  -31.6279
            45  C1y C    38.9001  -19.7348
            46  O2a O    40.1594  -21.8335
            47  C1c C    36.5215  -28.0599
            48  C1a C    34.0729  -28.0599
            49  C2b C    31.5544  -32.3275
            50  O2a O    40.1594  -18.9652
            51  C1c C    36.5215  -29.4591
            52  O1a O    37.7108  -27.3603
            53  C2b C    31.5544  -33.7266
            54  C5a C    37.7108  -30.1587
            55  O2a O    35.2623  -30.1587
            56  C2b C    32.8137  -34.4262
            57  C1c C    37.7108  -31.5579
            58  O5a O    38.9001  -29.4591
            59  C1a C    35.2623  -31.5579
            60  C2b C    34.0029  -33.7266
            61  C1b C    36.5215  -32.2575
            62  C1a C    38.9001  -32.2575
            63  C1c C    35.4021  -33.7266
            64  C1a C    35.7519  -35.0559
            65  C1b C    41.4068  -19.6446
            66  C1b C    42.6136  -18.9066
            67  O1a O    43.8531  -19.5813
            68  C1a C    40.1594  -23.2335
BOND        71
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    7  14 2
            14   10  15 1
            15   13  16 1 #Down
            16   13  17 1
            17   13  18 1 #Up
            18   15  19 1
            19   15  20 1
            20   21  16 1 #Down
            21   17  22 1
            22   17  23 1 #Up
            23   19  24 1
            24   19  25 1 #Down
            25   20  26 1
            26   21  27 1
            27   21  28 1
            28   24  29 1
            29   26  30 1
            30   26  31 2
            31   27  32 1
            32   29  33 1
            33   29  34 1
            34   30  35 1
            35   30  36 1 #Up
            36   32  37 1
            37   32  38 1 #Up
            38   33  39 1
            39   34  40 1
            40   35  41 2
            41   37  42 2
            42   37  43 1
            43   38  44 1
            44   39  45 1
            45   39  46 1 #Down
            46   41  47 1
            47   41  48 1
            48   42  49 1
            49   45  50 1 #Up
            50   47  51 1
            51   47  52 1 #Up
            52   49  53 2
            53   51  54 1
            54   51  55 1 #Down
            55   53  56 1
            56   54  57 1
            57   54  58 2
            58   55  59 1
            59   56  60 2
            60   57  61 1
            61   57  62 1 #Down
            62   60  63 1
            63   63  64 1 #Down
            64    9  12 1
            65   22  28 1
            66   40  45 1
            67   61  63 1
            68   50  65 1
            69   65  66 1
            70   66  67 1
            71   46  68 1

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